4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine

C18H28ClN — CID 65089981

IUPAC4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H28ClN/c1-18(2,3)15-7-5-9-17(11-10-15)20-13-14-6-4-8-16(19)12-14/h4,6,8,12,15,17,20H,5,7,9-11,13H2,1-3H3
InChIKeyLTCSXLQIGXWNGC-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.42
Rot. Bonds3

About 4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine

4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine (PubChem CID 65089981) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
PubChem CID65089981
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC Name4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H28ClN/c1-18(2,3)15-7-5-9-17(11-10-15)20-13-14-6-4-8-16(19)12-14/h4,6,8,12,15,17,20H,5,7,9-11,13H2,1-3H3
InChIKeyLTCSXLQIGXWNGC-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 54866694
N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
4-tert-butyl-N-[1-(3-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089853
tert-butyl N-[4-[(3-chlorophenyl)methylamino]cyclohexyl]carbamate
CID 86277390
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 28553389

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine (CID 65089981) is 4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine is CC(C)(C)C1CCCC(NCc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine?
The InChIKey is LTCSXLQIGXWNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-18(2,3)15-7-5-9-17(11-10-15)20-13-14-6-4-8-16(19)12-14/h4,6,8,12,15,17,20H,5,7,9-11,13H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine?
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 65089981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).