(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine

C18H24N2O — CID 171211255

IUPAC(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H24N2O/c19-12-5-4-11-18(20)16-9-6-10-17(13-16)21-14-15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14,19-20H2/t18-/m1/s1
InChIKeyUYCVHFHNWGPCFM-GOSISDBHSA-N
MW284.40 g/mol
LogP3.39
Rot. Bonds8

About (1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine

(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine (PubChem CID 171211255) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
PubChem CID171211255
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H24N2O/c19-12-5-4-11-18(20)16-9-6-10-17(13-16)21-14-15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14,19-20H2/t18-/m1/s1
InChIKeyUYCVHFHNWGPCFM-GOSISDBHSA-N
XLogP3.39
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171211275
(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211160
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
1-(3-phenylmethoxyphenyl)but-3-yn-1-amine
CID 105077619
(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270
5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine
CID 118528022
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171212979
(1S)-1-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine?
The IUPAC name of (1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine (CID 171211255) is (1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine.
What is the SMILES notation for (1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine?
The canonical SMILES for (1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine is NCCCC[C@@H](N)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine?
The InChIKey is UYCVHFHNWGPCFM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O/c19-12-5-4-11-18(20)16-9-6-10-17(13-16)21-14-15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14,19-20H2/t18-/m1/s1.
What are the key properties of (1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine?
(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine is sourced from PubChem (CID 171211255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).