2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine

C19H32N2 — CID 105348147

IUPAC2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
SMILESC=CCN(Cc1ccc(C(C)CNCCC)cc1)C(C)C
InChIInChI=1S/C19H32N2/c1-6-12-20-14-17(5)19-10-8-18(9-11-19)15-21(13-7-2)16(3)4/h7-11,16-17,20H,2,6,12-15H2,1,3-5H3
InChIKeyUFDYARPUAVYTQI-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.19
Rot. Bonds10

About 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine

2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine (PubChem CID 105348147) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
PubChem CID105348147
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
SMILESC=CCN(Cc1ccc(C(C)CNCCC)cc1)C(C)C
InChIInChI=1S/C19H32N2/c1-6-12-20-14-17(5)19-10-8-18(9-11-19)15-21(13-7-2)16(3)4/h7-11,16-17,20H,2,6,12-15H2,1,3-5H3
InChIKeyUFDYARPUAVYTQI-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine 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

N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
CID 105347096
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
CID 62439186
N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906995
N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine
CID 105346832
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
CID 103225186
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349742
2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine
CID 105348426
N-propyl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351075
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine (CID 105348147) is 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine is C=CCN(Cc1ccc(C(C)CNCCC)cc1)C(C)C.
What is the InChIKey of 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine?
The InChIKey is UFDYARPUAVYTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-12-20-14-17(5)19-10-8-18(9-11-19)15-21(13-7-2)16(3)4/h7-11,16-17,20H,2,6,12-15H2,1,3-5H3.
What are the key properties of 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine?
2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 105348147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).