2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen

C17H34N2 — CID 162110606

IUPAC2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen
SMILESCC(C)CNCCc1ccc(CCNC(C)C)cc1.[H][H].[H][H]
InChIInChI=1S/C17H30N2.2H2/c1-14(2)13-18-11-9-16-5-7-17(8-6-16)10-12-19-15(3)4;;/h5-8,14-15,18-19H,9-13H2,1-4H3;2*1H
InChIKeyZGCHSPBHVIWLTM-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.51
Rot. Bonds9

About 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen

2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen (PubChem CID 162110606) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen
PubChem CID162110606
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen
SMILESCC(C)CNCCc1ccc(CCNC(C)C)cc1.[H][H].[H][H]
InChIInChI=1S/C17H30N2.2H2/c1-14(2)13-18-11-9-16-5-7-17(8-6-16)10-12-19-15(3)4;;/h5-8,14-15,18-19H,9-13H2,1-4H3;2*1H
InChIKeyZGCHSPBHVIWLTM-UHFFFAOYSA-N
XLogP3.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
N,N-dimethyl-4-[2-(propan-2-ylamino)ethyl]aniline
CID 64866407
2-methyl-N-[2-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105348109
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 64866859
2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105349058
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-1-amine
CID 105350635
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 105349885
N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine
CID 98014897
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine
CID 63498667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen?
The IUPAC name of 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen (CID 162110606) is 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen is CC(C)CNCCc1ccc(CCNC(C)C)cc1.[H][H].[H][H].
What is the InChIKey of 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen?
The InChIKey is ZGCHSPBHVIWLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2.2H2/c1-14(2)13-18-11-9-16-5-7-17(8-6-16)10-12-19-15(3)4;;/h5-8,14-15,18-19H,9-13H2,1-4H3;2*1H.
What are the key properties of 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen?
2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen has a molecular weight of 266.47 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 162110606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).