(2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine

C19H22N2 — CID 118694744

IUPAC(2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine
SMILESN[C@H]1CCc2cc(Nc3ccc(C4CC4)cc3)ccc2C1
InChIInChI=1S/C19H22N2/c20-17-7-3-16-12-19(10-6-15(16)11-17)21-18-8-4-14(5-9-18)13-1-2-13/h4-6,8-10,12-13,17,21H,1-3,7,11,20H2/t17-/m0/s1
InChIKeyXVFSPWAILDLDHQ-KRWDZBQOSA-N
MW278.40 g/mol
LogP4.12
Rot. Bonds3

About (2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine

(2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine (PubChem CID 118694744) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine.

Molecular Properties

Compound Name(2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine
PubChem CID118694744
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine
SMILESN[C@H]1CCc2cc(Nc3ccc(C4CC4)cc3)ccc2C1
InChIInChI=1S/C19H22N2/c20-17-7-3-16-12-19(10-6-15(16)11-17)21-18-8-4-14(5-9-18)13-1-2-13/h4-6,8-10,12-13,17,21H,1-3,7,11,20H2/t17-/m0/s1
InChIKeyXVFSPWAILDLDHQ-KRWDZBQOSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.12
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-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The IUPAC name of (2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine (CID 118694744) is (2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine.
What is the SMILES notation for (2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The canonical SMILES for (2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine is N[C@H]1CCc2cc(Nc3ccc(C4CC4)cc3)ccc2C1.
What is the InChIKey of (2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The InChIKey is XVFSPWAILDLDHQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2/c20-17-7-3-16-12-19(10-6-15(16)11-17)21-18-8-4-14(5-9-18)13-1-2-13/h4-6,8-10,12-13,17,21H,1-3,7,11,20H2/t17-/m0/s1.
What are the key properties of (2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
(2S)-6-N-(4-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 4.12, 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-cyclopropylphenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine is sourced from PubChem (CID 118694744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).