N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine

C18H22ClNO — CID 63449510

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCOc1ccc(Cl)cc1CNC(C)Cc1ccccc1C
InChIInChI=1S/C18H22ClNO/c1-13-6-4-5-7-15(13)10-14(2)20-12-16-11-17(19)8-9-18(16)21-3/h4-9,11,14,20H,10,12H2,1-3H3
InChIKeyQHIYPLHHFIRPMF-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.38
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 63449510) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID63449510
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCOc1ccc(Cl)cc1CNC(C)Cc1ccccc1C
InChIInChI=1S/C18H22ClNO/c1-13-6-4-5-7-15(13)10-14(2)20-12-16-11-17(19)8-9-18(16)21-3/h4-9,11,14,20H,10,12H2,1-3H3
InChIKeyQHIYPLHHFIRPMF-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
2-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-6-methylphenol
CID 115904873
4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
CID 63542851
5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43755227
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 79245397
(1S)-1-(2-bromophenyl)-N-[(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 81383552
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 60936188
(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81368416

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine (CID 63449510) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine is COc1ccc(Cl)cc1CNC(C)Cc1ccccc1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is QHIYPLHHFIRPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13-6-4-5-7-15(13)10-14(2)20-12-16-11-17(19)8-9-18(16)21-3/h4-9,11,14,20H,10,12H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 63449510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).