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

C18H23NO — CID 81361126

IUPACN-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
SMILESCc1cccc([C@@H](C)NCCCOc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15-8-6-9-17(14-15)16(2)19-12-7-13-20-18-10-4-3-5-11-18/h3-6,8-11,14,16,19H,7,12-13H2,1-2H3/t16-/m1/s1
InChIKeyYPIDVYBVONDHCK-MRXNPFEDSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds7

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

N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine (PubChem CID 81361126) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
PubChem CID81361126
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
SMILESCc1cccc([C@@H](C)NCCCOc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15-8-6-9-17(14-15)16(2)19-12-7-13-20-18-10-4-3-5-11-18/h3-6,8-11,14,16,19H,7,12-13H2,1-2H3/t16-/m1/s1
InChIKeyYPIDVYBVONDHCK-MRXNPFEDSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.11
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-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
N-[(1R)-1-(3-methylphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81361125
(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81360352

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine?
The IUPAC name of N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine (CID 81361126) is N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine is Cc1cccc([C@@H](C)NCCCOc2ccccc2)c1.
What is the InChIKey of N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine?
The InChIKey is YPIDVYBVONDHCK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-8-6-9-17(14-15)16(2)19-12-7-13-20-18-10-4-3-5-11-18/h3-6,8-11,14,16,19H,7,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine?
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine is sourced from PubChem (CID 81361126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).