2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine

C19H32ClN — CID 83148905

IUPAC2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
SMILESCC(C)CCCC(CNCC(C)C)Cc1ccccc1Cl
InChIInChI=1S/C19H32ClN/c1-15(2)8-7-9-17(14-21-13-16(3)4)12-18-10-5-6-11-19(18)20/h5-6,10-11,15-17,21H,7-9,12-14H2,1-4H3
InChIKeyJYGMFBNVBXVTPO-UHFFFAOYSA-N
MW309.93 g/mol
LogP5.57
Rot. Bonds10

About 2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine

2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine (PubChem CID 83148905) has the molecular formula C19H32ClN and a molecular weight of 309.93 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
PubChem CID83148905
Molecular FormulaC19H32ClN
Molecular Weight309.93 g/mol
Exact Mass309.22
IUPAC Name2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
SMILESCC(C)CCCC(CNCC(C)C)Cc1ccccc1Cl
InChIInChI=1S/C19H32ClN/c1-15(2)8-7-9-17(14-21-13-16(3)4)12-18-10-5-6-11-19(18)20/h5-6,10-11,15-17,21H,7-9,12-14H2,1-4H3
InChIKeyJYGMFBNVBXVTPO-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.93
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169774
2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62515635
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
2-[(2-chlorophenyl)methyl]-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 63195694
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine (CID 83148905) is 2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine is CC(C)CCCC(CNCC(C)C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine?
The InChIKey is JYGMFBNVBXVTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN/c1-15(2)8-7-9-17(14-21-13-16(3)4)12-18-10-5-6-11-19(18)20/h5-6,10-11,15-17,21H,7-9,12-14H2,1-4H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine?
2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine has a molecular weight of 309.93 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine is sourced from PubChem (CID 83148905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).