1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine

C18H24N2O — CID 62066972

IUPAC1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-14(2)20-18(12-19)16-8-10-17(11-9-16)21-13-15-6-4-3-5-7-15/h3-11,14,18,20H,12-13,19H2,1-2H3
InChIKeyBFUOQFIAQPDWHB-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.26
Rot. Bonds7

About 1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine

1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 62066972) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID62066972
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-14(2)20-18(12-19)16-8-10-17(11-9-16)21-13-15-6-4-3-5-7-15/h3-11,14,18,20H,12-13,19H2,1-2H3
InChIKeyBFUOQFIAQPDWHB-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 67651862
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 83973210
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540
ethyl (2R,3S)-2-deuterio-3-[[(1R)-1-phenylethyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 10873161
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384964
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine (CID 62066972) is 1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine is CC(C)NC(CN)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is BFUOQFIAQPDWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)20-18(12-19)16-8-10-17(11-9-16)21-13-15-6-4-3-5-7-15/h3-11,14,18,20H,12-13,19H2,1-2H3.
What are the key properties of 1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62066972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).