2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine

C17H30N2 — CID 115463583

IUPAC2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
SMILESCCCN(C)Cc1ccccc1CCNCC(C)C
InChIInChI=1S/C17H30N2/c1-5-12-19(4)14-17-9-7-6-8-16(17)10-11-18-13-15(2)3/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyZGUPEURCJZJNNG-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.32
Rot. Bonds9

About 2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine

2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine (PubChem CID 115463583) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
PubChem CID115463583
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
SMILESCCCN(C)Cc1ccccc1CCNCC(C)C
InChIInChI=1S/C17H30N2/c1-5-12-19(4)14-17-9-7-6-8-16(17)10-11-18-13-15(2)3/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyZGUPEURCJZJNNG-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115463980
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463581
N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine
CID 115463667
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62436074
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine
CID 62417579
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62435902
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 115463664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine (CID 115463583) is 2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine is CCCN(C)Cc1ccccc1CCNCC(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine?
The InChIKey is ZGUPEURCJZJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-12-19(4)14-17-9-7-6-8-16(17)10-11-18-13-15(2)3/h6-9,15,18H,5,10-14H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine?
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115463583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).