1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine

C14H16ClNO — CID 90673369

IUPAC1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc(Cl)c2cc(CN(C)C)ccc12
InChIInChI=1S/C14H16ClNO/c1-16(2)9-10-4-5-11-12(8-10)13(15)6-7-14(11)17-3/h4-8H,9H2,1-3H3
InChIKeyWEUNHXSMBNCWDQ-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.56
Rot. Bonds3

About 1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine

1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine (PubChem CID 90673369) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
PubChem CID90673369
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc(Cl)c2cc(CN(C)C)ccc12
InChIInChI=1S/C14H16ClNO/c1-16(2)9-10-4-5-11-12(8-10)13(15)6-7-14(11)17-3/h4-8H,9H2,1-3H3
InChIKeyWEUNHXSMBNCWDQ-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 90673364
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263145
1-chloro-4-methoxynaphthalene
CID 606038
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20766140
5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
CID 43686566
2-[5-[(dimethylamino)methyl]-2-methoxyphenyl]acetonitrile
CID 84777922
1-[5-[(dimethylamino)methyl]-2-methoxyphenyl]cyclopropan-1-ol
CID 117316129
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
CID 21435419
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine (CID 90673369) is 1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine is COc1ccc(Cl)c2cc(CN(C)C)ccc12.
What is the InChIKey of 1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine?
The InChIKey is WEUNHXSMBNCWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-16(2)9-10-4-5-11-12(8-10)13(15)6-7-14(11)17-3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine?
1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine has a molecular weight of 249.74 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-5-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 90673369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).