N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine

C16H24BrN — CID 106662665

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1N[C@H](C)c1ccccc1Br
InChIInChI=1S/C16H24BrN/c1-11-9-16(3,4)10-15(11)18-12(2)13-7-5-6-8-14(13)17/h5-8,11-12,15,18H,9-10H2,1-4H3/t11?,12-,15?/m1/s1
InChIKeyHFRDQCNXFYDYRW-MQYJIDSJSA-N
MW310.28 g/mol
LogP4.92
Rot. Bonds3

About N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106662665) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106662665
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1N[C@H](C)c1ccccc1Br
InChIInChI=1S/C16H24BrN/c1-11-9-16(3,4)10-15(11)18-12(2)13-7-5-6-8-14(13)17/h5-8,11-12,15,18H,9-10H2,1-4H3/t11?,12-,15?/m1/s1
InChIKeyHFRDQCNXFYDYRW-MQYJIDSJSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320693
N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81383170
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81383331
2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662147
N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81378163
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658906
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 81379211
N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81378144
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine (CID 106662665) is N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine is CC1CC(C)(C)CC1N[C@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is HFRDQCNXFYDYRW-MQYJIDSJSA-N. The full InChI is InChI=1S/C16H24BrN/c1-11-9-16(3,4)10-15(11)18-12(2)13-7-5-6-8-14(13)17/h5-8,11-12,15,18H,9-10H2,1-4H3/t11?,12-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106662665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).