N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine

C18H20ClNO — CID 104815845

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
SMILESCOc1cccc(Cl)c1CNC(c1ccccc1)C1CC1
InChIInChI=1S/C18H20ClNO/c1-21-17-9-5-8-16(19)15(17)12-20-18(14-10-11-14)13-6-3-2-4-7-13/h2-9,14,18,20H,10-12H2,1H3
InChIKeyLFWNBMALMSEYEK-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.59
Rot. Bonds6

About N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine

N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine (PubChem CID 104815845) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
PubChem CID104815845
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
SMILESCOc1cccc(Cl)c1CNC(c1ccccc1)C1CC1
InChIInChI=1S/C18H20ClNO/c1-21-17-9-5-8-16(19)15(17)12-20-18(14-10-11-14)13-6-3-2-4-7-13/h2-9,14,18,20H,10-12H2,1H3
InChIKeyLFWNBMALMSEYEK-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 113238189
2-chloro-6-[[[cyclopropyl(phenyl)methyl]amino]methyl]phenol
CID 115904610
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-imidazol-2-yl)-1-phenylmethanamine
CID 126809172
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562453
(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
CID 104816085
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
(2R)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-2-phenylacetamide
CID 103292472
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine (CID 104815845) is N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine is COc1cccc(Cl)c1CNC(c1ccccc1)C1CC1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine?
The InChIKey is LFWNBMALMSEYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-21-17-9-5-8-16(19)15(17)12-20-18(14-10-11-14)13-6-3-2-4-7-13/h2-9,14,18,20H,10-12H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine has a molecular weight of 301.82 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine is sourced from PubChem (CID 104815845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).