N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine

C18H23NO — CID 62936442

IUPACN-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
SMILESCc1cccc(CCNCCCOc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-16-7-5-8-17(15-16)11-13-19-12-6-14-20-18-9-3-2-4-10-18/h2-5,7-10,15,19H,6,11-14H2,1H3
InChIKeyOLLZJFIOHHVEHA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.60
Rot. Bonds8

About N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine

N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine (PubChem CID 62936442) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
PubChem CID62936442
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
SMILESCc1cccc(CCNCCCOc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-16-7-5-8-17(15-16)11-13-19-12-6-14-20-18-9-3-2-4-10-18/h2-5,7-10,15,19H,6,11-14H2,1H3
InChIKeyOLLZJFIOHHVEHA-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.60
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-(4-bromophenoxy)ethyl]-2-(3-methylphenyl)ethanamine
CID 63492781
3-chloro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 115215880
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
5-[2-(3-methylphenyl)ethylamino]pentan-1-ol
CID 62315190
3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine
CID 82097635
N-[3-(3-methylphenoxy)propyl]hexan-1-amine
CID 82097595
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-N'-(2-phenoxyethyl)hexane-1,6-diamine;dihydrochloride
CID 19838296
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
CID 10064569
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine (CID 62936442) is N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine is Cc1cccc(CCNCCCOc2ccccc2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine?
The InChIKey is OLLZJFIOHHVEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-16-7-5-8-17(15-16)11-13-19-12-6-14-20-18-9-3-2-4-10-18/h2-5,7-10,15,19H,6,11-14H2,1H3.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine?
N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine is sourced from PubChem (CID 62936442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).