2-[[ethyl(3-phenylpropyl)amino]methyl]aniline

C18H24N2 — CID 43459373

IUPAC2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
SMILESCCN(CCCc1ccccc1)Cc1ccccc1N
InChIInChI=1S/C18H24N2/c1-2-20(15-17-12-6-7-13-18(17)19)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,2,8,11,14-15,19H2,1H3
InChIKeyHULFLKSMJKOKAZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.72
Rot. Bonds7

About 2-[[ethyl(3-phenylpropyl)amino]methyl]aniline

2-[[ethyl(3-phenylpropyl)amino]methyl]aniline (PubChem CID 43459373) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[[ethyl(3-phenylpropyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
PubChem CID43459373
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
SMILESCCN(CCCc1ccccc1)Cc1ccccc1N
InChIInChI=1S/C18H24N2/c1-2-20(15-17-12-6-7-13-18(17)19)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,2,8,11,14-15,19H2,1H3
InChIKeyHULFLKSMJKOKAZ-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
6-[(2-aminophenyl)methyl-ethylamino]-2,2-dimethylhexanenitrile
CID 106712874
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(3-phenylpropyl)amino]methyl]aniline?
The IUPAC name of 2-[[ethyl(3-phenylpropyl)amino]methyl]aniline (CID 43459373) is 2-[[ethyl(3-phenylpropyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[ethyl(3-phenylpropyl)amino]methyl]aniline?
The canonical SMILES for 2-[[ethyl(3-phenylpropyl)amino]methyl]aniline is CCN(CCCc1ccccc1)Cc1ccccc1N.
What is the InChIKey of 2-[[ethyl(3-phenylpropyl)amino]methyl]aniline?
The InChIKey is HULFLKSMJKOKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-20(15-17-12-6-7-13-18(17)19)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,2,8,11,14-15,19H2,1H3.
What are the key properties of 2-[[ethyl(3-phenylpropyl)amino]methyl]aniline?
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(3-phenylpropyl)amino]methyl]aniline is sourced from PubChem (CID 43459373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).