(1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H20ClNO — CID 57370466

IUPAC(1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(OC)c1
InChIInChI=1S/C18H20ClNO/c1-20-16-10-8-12-5-3-4-6-14(12)18(16)13-7-9-15(19)17(11-13)21-2/h3-7,9,11,16,18,20H,8,10H2,1-2H3/t16-,18+/m0/s1
InChIKeyKCQQZZAEEGLVKC-FUHWJXTLSA-N
MW301.82 g/mol
LogP4.01
Rot. Bonds3

About (1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

(1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 57370466) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is (1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID57370466
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name(1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(OC)c1
InChIInChI=1S/C18H20ClNO/c1-20-16-10-8-12-5-3-4-6-14(12)18(16)13-7-9-15(19)17(11-13)21-2/h3-7,9,11,16,18,20H,8,10H2,1-2H3/t16-,18+/m0/s1
InChIKeyKCQQZZAEEGLVKC-FUHWJXTLSA-N
XLogP4.01
TPSA21.26 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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 57370466) is (1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(OC)c1.
What is the InChIKey of (1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KCQQZZAEEGLVKC-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-20-16-10-8-12-5-3-4-6-14(12)18(16)13-7-9-15(19)17(11-13)21-2/h3-7,9,11,16,18,20H,8,10H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of (1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 301.82 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 57370466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).