(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine

C16H20N2O — CID 171211251

IUPAC(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H20N2O/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12,17-18H2/t16-/m1/s1
InChIKeyRSJOTJZEPMDMRH-MRXNPFEDSA-N
MW256.35 g/mol
LogP2.61
Rot. Bonds6

About (1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine

(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine (PubChem CID 171211251) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
PubChem CID171211251
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H20N2O/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12,17-18H2/t16-/m1/s1
InChIKeyRSJOTJZEPMDMRH-MRXNPFEDSA-N
XLogP2.61
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
CID 171211255
(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
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
1-(3-phenylmethoxyphenyl)but-3-yn-1-amine
CID 105077619
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211160

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine (CID 171211251) is (1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine is NCC[C@@H](N)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine?
The InChIKey is RSJOTJZEPMDMRH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12,17-18H2/t16-/m1/s1.
What are the key properties of (1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine?
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 171211251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).