(2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine

C17H19ClN2 — CID 118694801

IUPAC(2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
SMILESN[C@H]1CCc2cc(NCc3ccc(Cl)cc3)ccc2C1
InChIInChI=1S/C17H19ClN2/c18-15-5-1-12(2-6-15)11-20-17-8-4-13-9-16(19)7-3-14(13)10-17/h1-2,4-6,8,10,16,20H,3,7,9,11,19H2/t16-/m0/s1
InChIKeyXRZHCFUTAKUUNJ-INIZCTEOSA-N
MW286.81 g/mol
LogP3.77
Rot. Bonds3

About (2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine

(2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine (PubChem CID 118694801) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is (2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine.

Molecular Properties

Compound Name(2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
PubChem CID118694801
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name(2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
SMILESN[C@H]1CCc2cc(NCc3ccc(Cl)cc3)ccc2C1
InChIInChI=1S/C17H19ClN2/c18-15-5-1-12(2-6-15)11-20-17-8-4-13-9-16(19)7-3-14(13)10-17/h1-2,4-6,8,10,16,20H,3,7,9,11,19H2/t16-/m0/s1
InChIKeyXRZHCFUTAKUUNJ-INIZCTEOSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The IUPAC name of (2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine (CID 118694801) is (2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine.
What is the SMILES notation for (2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The canonical SMILES for (2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine is N[C@H]1CCc2cc(NCc3ccc(Cl)cc3)ccc2C1.
What is the InChIKey of (2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The InChIKey is XRZHCFUTAKUUNJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-15-5-1-12(2-6-15)11-20-17-8-4-13-9-16(19)7-3-14(13)10-17/h1-2,4-6,8,10,16,20H,3,7,9,11,19H2/t16-/m0/s1.
What are the key properties of (2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
(2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine has a molecular weight of 286.81 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine is sourced from PubChem (CID 118694801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).