1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine

C17H20ClNO2 — CID 104667048

IUPAC1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
SMILESCOc1cc(Cl)cc(CC(C)N)c1OCc1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-12(19)8-14-9-15(18)10-16(20-2)17(14)21-11-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11,19H2,1-2H3
InChIKeyBOGLDPBIVDEHJW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.82
Rot. Bonds6

About 1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine

1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine (PubChem CID 104667048) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
PubChem CID104667048
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
SMILESCOc1cc(Cl)cc(CC(C)N)c1OCc1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-12(19)8-14-9-15(18)10-16(20-2)17(14)21-11-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11,19H2,1-2H3
InChIKeyBOGLDPBIVDEHJW-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-[5-chloro-3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 104667037
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210688
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208332
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211455
1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028
1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 104666966
1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 63421756
1-(5-chloro-3-methoxy-2-pent-3-ynoxyphenyl)propan-2-amine
CID 104808085
5-ethyl-1-methoxy-3-(2-methylbutyl)-2-phenylmethoxybenzene
CID 91446347
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158349

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine (CID 104667048) is 1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine is COc1cc(Cl)cc(CC(C)N)c1OCc1ccccc1.
What is the InChIKey of 1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine?
The InChIKey is BOGLDPBIVDEHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(19)8-14-9-15(18)10-16(20-2)17(14)21-11-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11,19H2,1-2H3.
What are the key properties of 1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine?
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine is sourced from PubChem (CID 104667048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).