1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine

C18H22N2O — CID 170895047

IUPAC1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine
SMILESNCC(N)c1cc(-c2ccccc2)ccc1OCC1CC1
InChIInChI=1S/C18H22N2O/c19-11-17(20)16-10-15(14-4-2-1-3-5-14)8-9-18(16)21-12-13-6-7-13/h1-5,8-10,13,17H,6-7,11-12,19-20H2
InChIKeyMOSFWDLHBGDPLV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.10
Rot. Bonds6

About 1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine

1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine (PubChem CID 170895047) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine
PubChem CID170895047
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine
SMILESNCC(N)c1cc(-c2ccccc2)ccc1OCC1CC1
InChIInChI=1S/C18H22N2O/c19-11-17(20)16-10-15(14-4-2-1-3-5-14)8-9-18(16)21-12-13-6-7-13/h1-5,8-10,13,17H,6-7,11-12,19-20H2
InChIKeyMOSFWDLHBGDPLV-UHFFFAOYSA-N
XLogP3.10
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-4-phenylbenzoic acid
CID 162369991
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
3-amino-2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117376384
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine
CID 86322131
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
4-bromo-1-(cyclopropylmethoxy)-2-(difluoromethyl)benzene
CID 165416562
2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117460851
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine (CID 170895047) is 1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine is NCC(N)c1cc(-c2ccccc2)ccc1OCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine?
The InChIKey is MOSFWDLHBGDPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-11-17(20)16-10-15(14-4-2-1-3-5-14)8-9-18(16)21-12-13-6-7-13/h1-5,8-10,13,17H,6-7,11-12,19-20H2.
What are the key properties of 1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine?
1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine is sourced from PubChem (CID 170895047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).