2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine

C16H26ClN — CID 63509501

IUPAC2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-5-16(6-2,12-18-13(3)4)11-14-7-9-15(17)10-8-14/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyOXTNGZRCZNRHAY-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.69
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine

2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine (PubChem CID 63509501) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
PubChem CID63509501
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine
SMILESCCC(CC)(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-5-16(6-2,12-18-13(3)4)11-14-7-9-15(17)10-8-14/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyOXTNGZRCZNRHAY-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-[(4-iodophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 65491309
2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 55194901
2-ethyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 63508982
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 103041075
2-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 103041060
2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 62724741
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
CID 60918368
1-chloro-4-[2-(chloromethyl)-2-methylbutyl]benzene
CID 66036089
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine (CID 63509501) is 2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine is CCC(CC)(CNC(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is OXTNGZRCZNRHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-5-16(6-2,12-18-13(3)4)11-14-7-9-15(17)10-8-14/h7-10,13,18H,5-6,11-12H2,1-4H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine?
2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-2-ethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 63509501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).