N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine

C17H28ClN — CID 63497993

IUPACN-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)Cc1ccccc1Cl
InChIInChI=1S/C17H28ClN/c1-13(2)10-14(12-19-17(3,4)5)11-15-8-6-7-9-16(15)18/h6-9,13-14,19H,10-12H2,1-5H3
InChIKeyYDYRQGCUVKLLIF-UHFFFAOYSA-N
MW281.87 g/mol
LogP4.93
Rot. Bonds6

About N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine

N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine (PubChem CID 63497993) 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]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
PubChem CID63497993
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC NameN-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)Cc1ccccc1Cl
InChIInChI=1S/C17H28ClN/c1-13(2)10-14(12-19-17(3,4)5)11-15-8-6-7-9-16(15)18/h6-9,13-14,19H,10-12H2,1-5H3
InChIKeyYDYRQGCUVKLLIF-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.87
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 55196404
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497978
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 62515455
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-propoxybutan-1-amine
CID 106456746
N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63497991
N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine
CID 63497814
N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 82933669
2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 107309635
N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62530501
2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169774
2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
CID 83148905

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine (CID 63497993) is N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine is CC(C)CC(CNC(C)(C)C)Cc1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine?
The InChIKey is YDYRQGCUVKLLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-13(2)10-14(12-19-17(3,4)5)11-15-8-6-7-9-16(15)18/h6-9,13-14,19H,10-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine?
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 4.93, 6 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]-4-methylpentan-1-amine is sourced from PubChem (CID 63497993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).