(2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride

C23H29ClN2 — CID 158759020

IUPAC(2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride
SMILESCc1cncc2ccc(CN[C@H](C)CCCCc3ccccc3)cc12.Cl
InChIInChI=1S/C23H28N2.ClH/c1-18-15-24-17-22-13-12-21(14-23(18)22)16-25-19(2)8-6-7-11-20-9-4-3-5-10-20;/h3-5,9-10,12-15,17,19,25H,6-8,11,16H2,1-2H3;1H/t19-;/m1./s1
InChIKeyOSKRRFZPCBWJLX-FSRHSHDFSA-N
MW368.95 g/mol
LogP5.86
Rot. Bonds8

About (2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride

(2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride (PubChem CID 158759020) has the molecular formula C23H29ClN2 and a molecular weight of 368.95 g/mol. Its IUPAC name is (2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride
PubChem CID158759020
Molecular FormulaC23H29ClN2
Molecular Weight368.95 g/mol
Exact Mass368.20
IUPAC Name(2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride
SMILESCc1cncc2ccc(CN[C@H](C)CCCCc3ccccc3)cc12.Cl
InChIInChI=1S/C23H28N2.ClH/c1-18-15-24-17-22-13-12-21(14-23(18)22)16-25-19(2)8-6-7-11-20-9-4-3-5-10-20;/h3-5,9-10,12-15,17,19,25H,6-8,11,16H2,1-2H3;1H/t19-;/m1./s1
InChIKeyOSKRRFZPCBWJLX-FSRHSHDFSA-N
XLogP5.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.95
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(isoquinolin-6-ylmethyl)-6-(4-phenylphenyl)hexan-2-amine
CID 159200928
(2R)-6-(3-fluorophenyl)-N-(isoquinolin-6-ylmethyl)hexan-2-amine;hydrochloride
CID 159382135
(2R)-6-[4-(2-aminoethyl)phenyl]-N-(isoquinolin-6-ylmethyl)hexan-2-amine
CID 158414323
(2R)-6-phenyl-N-[[5-(trifluoromethyl)isoquinolin-6-yl]methyl]hexan-2-amine
CID 159822400
(1R,6R)-6-(isoquinolin-6-ylmethylamino)-1-phenylheptan-1-ol;hydrochloride
CID 158232462
(2R)-N-(isoquinolin-6-ylmethyl)-6-(1,2-thiazol-3-yl)hexan-2-amine
CID 157247655
(2R)-N-(isoquinolin-6-ylmethyl)-6-thiophen-3-ylhexan-2-amine
CID 159499848
N-(isoquinolin-6-ylmethyl)heptan-2-amine
CID 107037843
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine
CID 160577126
(2R)-6-(4-methyl-1,3-thiazol-5-yl)-N-(naphthalen-2-ylmethyl)hexan-2-amine
CID 160640659
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride?
The IUPAC name of (2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride (CID 158759020) is (2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride?
The canonical SMILES for (2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride is Cc1cncc2ccc(CN[C@H](C)CCCCc3ccccc3)cc12.Cl.
What is the InChIKey of (2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride?
The InChIKey is OSKRRFZPCBWJLX-FSRHSHDFSA-N. The full InChI is InChI=1S/C23H28N2.ClH/c1-18-15-24-17-22-13-12-21(14-23(18)22)16-25-19(2)8-6-7-11-20-9-4-3-5-10-20;/h3-5,9-10,12-15,17,19,25H,6-8,11,16H2,1-2H3;1H/t19-;/m1./s1.
What are the key properties of (2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride?
(2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methylisoquinolin-6-yl)methyl]-6-phenylhexan-2-amine;hydrochloride is sourced from PubChem (CID 158759020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).