N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine

C17H28ClN — CID 63523387

IUPACN-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
SMILESCCCCC(CNC(C)(C)C)Cc1ccccc1Cl
InChIInChI=1S/C17H28ClN/c1-5-6-9-14(13-19-17(2,3)4)12-15-10-7-8-11-16(15)18/h7-8,10-11,14,19H,5-6,9,12-13H2,1-4H3
InChIKeyIUIXRWWUZLBYEO-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.08
Rot. Bonds7

About N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine

N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine (PubChem CID 63523387) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
PubChem CID63523387
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC NameN-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
SMILESCCCCC(CNC(C)(C)C)Cc1ccccc1Cl
InChIInChI=1S/C17H28ClN/c1-5-6-9-14(13-19-17(2,3)4)12-15-10-7-8-11-16(15)18/h7-8,10-11,14,19H,5-6,9,12-13H2,1-4H3
InChIKeyIUIXRWWUZLBYEO-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-propoxybutan-1-amine
CID 106456746
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 62515455
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497993
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
N-[2-[(2-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63522844
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride
CID 21388934
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
1-chloro-2-(2-chlorohexyl)benzene
CID 63519497
2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169774

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine?
The IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine (CID 63523387) is N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine is CCCCC(CNC(C)(C)C)Cc1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine?
The InChIKey is IUIXRWWUZLBYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-5-6-9-14(13-19-17(2,3)4)12-15-10-7-8-11-16(15)18/h7-8,10-11,14,19H,5-6,9,12-13H2,1-4H3.
What are the key properties of N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine?
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine is sourced from PubChem (CID 63523387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).