1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine

C17H20ClNO — CID 65024708

IUPAC1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
SMILESCOc1ccc(C)cc1CNCc1cccc(CCl)c1
InChIInChI=1S/C17H20ClNO/c1-13-6-7-17(20-2)16(8-13)12-19-11-15-5-3-4-14(9-15)10-18/h3-9,19H,10-12H2,1-2H3
InChIKeyUYPRENWWQOSXGS-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.03
Rot. Bonds6

About 1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine

1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine (PubChem CID 65024708) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
PubChem CID65024708
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
SMILESCOc1ccc(C)cc1CNCc1cccc(CCl)c1
InChIInChI=1S/C17H20ClNO/c1-13-6-7-17(20-2)16(8-13)12-19-11-15-5-3-4-14(9-15)10-18/h3-9,19H,10-12H2,1-2H3
InChIKeyUYPRENWWQOSXGS-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43423933
1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43406541
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 112594445
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
2-(chloromethyl)-2-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
CID 114164282
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43672260
N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62449938

Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
The IUPAC name of 1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine (CID 65024708) is 1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine is COc1ccc(C)cc1CNCc1cccc(CCl)c1.
What is the InChIKey of 1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
The InChIKey is UYPRENWWQOSXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13-6-7-17(20-2)16(8-13)12-19-11-15-5-3-4-14(9-15)10-18/h3-9,19H,10-12H2,1-2H3.
What are the key properties of 1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine has a molecular weight of 289.81 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine is sourced from PubChem (CID 65024708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).