(1R)-1-(4-phenoxyphenyl)hexan-1-amine

C18H23NO — CID 28979758

IUPAC(1R)-1-(4-phenoxyphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-2-3-5-10-18(19)15-11-13-17(14-12-15)20-16-8-6-4-7-9-16/h4,6-9,11-14,18H,2-3,5,10,19H2,1H3/t18-/m1/s1
InChIKeyMQOXJEHKDIUPES-GOSISDBHSA-N
MW269.39 g/mol
LogP5.06
Rot. Bonds7

About (1R)-1-(4-phenoxyphenyl)hexan-1-amine

(1R)-1-(4-phenoxyphenyl)hexan-1-amine (PubChem CID 28979758) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R)-1-(4-phenoxyphenyl)hexan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-phenoxyphenyl)hexan-1-amine
PubChem CID28979758
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R)-1-(4-phenoxyphenyl)hexan-1-amine
SMILESCCCCC[C@@H](N)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-2-3-5-10-18(19)15-11-13-17(14-12-15)20-16-8-6-4-7-9-16/h4,6-9,11-14,18H,2-3,5,10,19H2,1H3/t18-/m1/s1
InChIKeyMQOXJEHKDIUPES-GOSISDBHSA-N
XLogP5.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.06
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

1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenyldecan-1-amine
CID 43175860
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171211172
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-(1-bromoheptyl)-4-phenoxybenzene
CID 114753560
4-butoxy-1-phenylbutan-1-amine
CID 61483795
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
CID 28744353
4-(1-aminooctyl)aniline
CID 137458153
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-phenoxyphenyl)hexan-1-amine?
The IUPAC name of (1R)-1-(4-phenoxyphenyl)hexan-1-amine (CID 28979758) is (1R)-1-(4-phenoxyphenyl)hexan-1-amine.
What is the SMILES notation for (1R)-1-(4-phenoxyphenyl)hexan-1-amine?
The canonical SMILES for (1R)-1-(4-phenoxyphenyl)hexan-1-amine is CCCCC[C@@H](N)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (1R)-1-(4-phenoxyphenyl)hexan-1-amine?
The InChIKey is MQOXJEHKDIUPES-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-3-5-10-18(19)15-11-13-17(14-12-15)20-16-8-6-4-7-9-16/h4,6-9,11-14,18H,2-3,5,10,19H2,1H3/t18-/m1/s1.
What are the key properties of (1R)-1-(4-phenoxyphenyl)hexan-1-amine?
(1R)-1-(4-phenoxyphenyl)hexan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-phenoxyphenyl)hexan-1-amine is sourced from PubChem (CID 28979758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).