(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine

C15H19ClN2O — CID 69469244

IUPAC(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CN)cc1.NCc1ccc(Cl)cc1
InChIInChI=1S/C8H11NO.C7H8ClN/c1-10-8-4-2-7(6-9)3-5-8;8-7-3-1-6(5-9)2-4-7/h2-5H,6,9H2,1H3;1-4H,5,9H2
InChIKeyZELQIHPRPUXZQG-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.95
Rot. Bonds3

About (4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine

(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine (PubChem CID 69469244) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
PubChem CID69469244
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CN)cc1.NCc1ccc(Cl)cc1
InChIInChI=1S/C8H11NO.C7H8ClN/c1-10-8-4-2-7(6-9)3-5-8;8-7-3-1-6(5-9)2-4-7/h2-5H,6,9H2,1H3;1-4H,5,9H2
InChIKeyZELQIHPRPUXZQG-UHFFFAOYSA-N
XLogP2.95
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine
CID 142805303
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
[4-(aminomethyl)phenyl] 4-chlorobenzoate;ethane
CID 144735667
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
(3-chloro-5-methoxyphenyl)methanamine
CID 51063718
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine?
The IUPAC name of (4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine (CID 69469244) is (4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine.
What is the SMILES notation for (4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine?
The canonical SMILES for (4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine is COc1ccc(CN)cc1.NCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine?
The InChIKey is ZELQIHPRPUXZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C7H8ClN/c1-10-8-4-2-7(6-9)3-5-8;8-7-3-1-6(5-9)2-4-7/h2-5H,6,9H2,1H3;1-4H,5,9H2.
What are the key properties of (4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine?
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine has a molecular weight of 278.78 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine is sourced from PubChem (CID 69469244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).