1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine

C17H27FN2 — CID 79074692

IUPAC1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)Cc2cccc(F)c2)(N(C)C)C1
InChIInChI=1S/C17H27FN2/c1-13-6-5-9-17(12-13,20(2)3)16(19)11-14-7-4-8-15(18)10-14/h4,7-8,10,13,16H,5-6,9,11-12,19H2,1-3H3
InChIKeyJHXJRVUBLAZDEE-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.21
Rot. Bonds4

About 1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine

1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074692) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074692
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)Cc2cccc(F)c2)(N(C)C)C1
InChIInChI=1S/C17H27FN2/c1-13-6-5-9-17(12-13,20(2)3)16(19)11-14-7-4-8-15(18)10-14/h4,7-8,10,13,16H,5-6,9,11-12,19H2,1-3H3
InChIKeyJHXJRVUBLAZDEE-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(4-fluoro-2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074616
1-[1-amino-2-(3,5-difluorophenyl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105406557
1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243659
1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074614
2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767827
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288
1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070691
1-[amino-(4-ethylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79075065
1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine
CID 114475288
1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine
CID 79074834
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanamine
CID 116761667
1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243618

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79074692) is 1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(N)Cc2cccc(F)c2)(N(C)C)C1.
What is the InChIKey of 1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is JHXJRVUBLAZDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13-6-5-9-17(12-13,20(2)3)16(19)11-14-7-4-8-15(18)10-14/h4,7-8,10,13,16H,5-6,9,11-12,19H2,1-3H3.
What are the key properties of 1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).