1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine

C18H20ClNO — CID 62620308

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc(Cl)cc1CC1(N)CCCc2ccccc21
InChIInChI=1S/C18H20ClNO/c1-21-17-9-8-15(19)11-14(17)12-18(20)10-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-9,11H,4,6,10,12,20H2,1H3
InChIKeyOCQSJDKHWKNUTN-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.08
Rot. Bonds3

About 1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine

1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 62620308) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID62620308
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc(Cl)cc1CC1(N)CCCc2ccccc21
InChIInChI=1S/C18H20ClNO/c1-21-17-9-8-15(19)11-14(17)12-18(20)10-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-9,11H,4,6,10,12,20H2,1H3
InChIKeyOCQSJDKHWKNUTN-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62160328
5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 114853405
1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine
CID 114853430
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233836
5-[(3-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103039214
6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 105483573
1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79701029
7-methoxy-1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 79233838
3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine
CID 79461001
1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406091
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 65318575

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine (CID 62620308) is 1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc(Cl)cc1CC1(N)CCCc2ccccc21.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is OCQSJDKHWKNUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-21-17-9-8-15(19)11-14(17)12-18(20)10-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-9,11H,4,6,10,12,20H2,1H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 301.82 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 62620308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).