2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine

C18H30ClN — CID 83169774

IUPAC2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
SMILESCC(C)CCCC(CNC(C)C)Cc1ccccc1Cl
InChIInChI=1S/C18H30ClN/c1-14(2)8-7-9-16(13-20-15(3)4)12-17-10-5-6-11-18(17)19/h5-6,10-11,14-16,20H,7-9,12-13H2,1-4H3
InChIKeyRZVQCQWXFDFREI-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.32
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine

2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine (PubChem CID 83169774) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
PubChem CID83169774
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
SMILESCC(C)CCCC(CNC(C)C)Cc1ccccc1Cl
InChIInChI=1S/C18H30ClN/c1-14(2)8-7-9-16(13-20-15(3)4)12-17-10-5-6-11-18(17)19/h5-6,10-11,14-16,20H,7-9,12-13H2,1-4H3
InChIKeyRZVQCQWXFDFREI-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
CID 83148905
2-[(2-chlorophenyl)methyl]-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 63195694
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62515635
2-[(2-chlorophenyl)methyl]-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729759
6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 104649283
2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
CID 65180423
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine (CID 83169774) is 2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine is CC(C)CCCC(CNC(C)C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine?
The InChIKey is RZVQCQWXFDFREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-14(2)8-7-9-16(13-20-15(3)4)12-17-10-5-6-11-18(17)19/h5-6,10-11,14-16,20H,7-9,12-13H2,1-4H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine?
2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine has a molecular weight of 295.90 g/mol, XLogP of 5.32, 9 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-propan-2-ylheptan-1-amine is sourced from PubChem (CID 83169774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).