N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine

C17H30N2 — CID 115463670

IUPACN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
SMILESCCCCCN(C)Cc1ccccc1CCNCC
InChIInChI=1S/C17H30N2/c1-4-6-9-14-19(3)15-17-11-8-7-10-16(17)12-13-18-5-2/h7-8,10-11,18H,4-6,9,12-15H2,1-3H3
InChIKeyRHOSWMMMSSVSTR-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.46
Rot. Bonds10

About N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine

N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine (PubChem CID 115463670) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
PubChem CID115463670
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
SMILESCCCCCN(C)Cc1ccccc1CCNCC
InChIInChI=1S/C17H30N2/c1-4-6-9-14-19(3)15-17-11-8-7-10-16(17)12-13-18-5-2/h7-8,10-11,18H,4-6,9,12-15H2,1-3H3
InChIKeyRHOSWMMMSSVSTR-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-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'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N-ethyl-2-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 115464004
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464062
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 115463664
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N'-[(2-chlorophenyl)methyl]-N-ethyl-N'-methylpentane-1,5-diamine
CID 62412963
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine?
The IUPAC name of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine (CID 115463670) is N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine.
What is the SMILES notation for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine?
The canonical SMILES for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine is CCCCCN(C)Cc1ccccc1CCNCC.
What is the InChIKey of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine?
The InChIKey is RHOSWMMMSSVSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-6-9-14-19(3)15-17-11-8-7-10-16(17)12-13-18-5-2/h7-8,10-11,18H,4-6,9,12-15H2,1-3H3.
What are the key properties of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine?
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 115463670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).