(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

C18H20ClNO — CID 107126524

IUPAC(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCOc1ccc(C(N)C2CCc3ccccc3C2)c(Cl)c1
InChIInChI=1S/C18H20ClNO/c1-21-15-8-9-16(17(19)11-15)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,8-9,11,14,18H,6-7,10,20H2,1H3
InChIKeyWDSNMLYCMHSGQR-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.15
Rot. Bonds3

About (2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 107126524) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID107126524
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCOc1ccc(C(N)C2CCc3ccccc3C2)c(Cl)c1
InChIInChI=1S/C18H20ClNO/c1-21-15-8-9-16(17(19)11-15)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,8-9,11,14,18H,6-7,10,20H2,1H3
InChIKeyWDSNMLYCMHSGQR-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126530
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892723
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892808
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 102832882
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582
(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557
(5-methylfuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126532
1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
CID 103162998
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trimethylphenyl)methanamine
CID 107126496
2-[chloro-(3-chloro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127418

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 107126524) is (2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is COc1ccc(C(N)C2CCc3ccccc3C2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is WDSNMLYCMHSGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-21-15-8-9-16(17(19)11-15)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,8-9,11,14,18H,6-7,10,20H2,1H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 301.82 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 107126524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).