N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine

C18H22ClNO — CID 115954081

IUPACN-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cccc(CNC(C)C)c1OCc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-13(2)20-11-15-9-6-7-14(3)18(15)21-12-16-8-4-5-10-17(16)19/h4-10,13,20H,11-12H2,1-3H3
InChIKeyWQCDPYPAHOGAMF-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.73
Rot. Bonds6

About N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine

N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine (PubChem CID 115954081) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
PubChem CID115954081
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cccc(CNC(C)C)c1OCc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-13(2)20-11-15-9-6-7-14(3)18(15)21-12-16-8-4-5-10-17(16)19/h4-10,13,20H,11-12H2,1-3H3
InChIKeyWQCDPYPAHOGAMF-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610137
N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 115954557
N-[[2-(3,3-dimethylbutoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610090
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954092
N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954077
6-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702816
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17155854
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610339
N-[[3-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 112610346
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine (CID 115954081) is N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine is Cc1cccc(CNC(C)C)c1OCc1ccccc1Cl.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is WQCDPYPAHOGAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)20-11-15-9-6-7-14(3)18(15)21-12-16-8-4-5-10-17(16)19/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 115954081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).