2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine

C19H30ClN — CID 43694786

IUPAC2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C19H30ClN/c1-14(12-15-8-7-9-16(20)13-15)21-18-11-6-5-10-17(18)19(2,3)4/h7-9,13-14,17-18,21H,5-6,10-12H2,1-4H3
InChIKeyRZMAQSODGVEGCC-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.47
Rot. Bonds4

About 2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine

2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine (PubChem CID 43694786) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine
PubChem CID43694786
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC Name2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C19H30ClN/c1-14(12-15-8-7-9-16(20)13-15)21-18-11-6-5-10-17(18)19(2,3)4/h7-9,13-14,17-18,21H,5-6,10-12H2,1-4H3
InChIKeyRZMAQSODGVEGCC-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820
N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79860721
1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
CID 79459034
N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
CID 65081836
N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
CID 43694783
N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 54981472
N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713569

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine (CID 43694786) is 2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine is CC(Cc1cccc(Cl)c1)NC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine?
The InChIKey is RZMAQSODGVEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-14(12-15-8-7-9-16(20)13-15)21-18-11-6-5-10-17(18)19(2,3)4/h7-9,13-14,17-18,21H,5-6,10-12H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine?
2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 43694786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).