1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine

C18H29FN2 — CID 104575435

IUPAC1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine
SMILESCC(C)(C)C1CCC(C(CN)Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H29FN2/c1-18(2,3)14-9-7-13(8-10-14)17(12-20)21-16-6-4-5-15(19)11-16/h4-6,11,13-14,17,21H,7-10,12,20H2,1-3H3
InChIKeyNDIDWARMXPIRED-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine

1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine (PubChem CID 104575435) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine
PubChem CID104575435
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine
SMILESCC(C)(C)C1CCC(C(CN)Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H29FN2/c1-18(2,3)14-9-7-13(8-10-14)17(12-20)21-16-6-4-5-15(19)11-16/h4-6,11,13-14,17,21H,7-10,12,20H2,1-3H3
InChIKeyNDIDWARMXPIRED-UHFFFAOYSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine
CID 83975135
N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65378828
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377112
2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine
CID 65382983
1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839107
[(4-tert-butylcyclohexyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105232729
2-N-(3-fluorophenyl)heptane-1,2-diamine
CID 65383612
N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline
CID 64917318
N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 107582921

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine (CID 104575435) is 1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine is CC(C)(C)C1CCC(C(CN)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The InChIKey is NDIDWARMXPIRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-18(2,3)14-9-7-13(8-10-14)17(12-20)21-16-6-4-5-15(19)11-16/h4-6,11,13-14,17,21H,7-10,12,20H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine has a molecular weight of 292.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 104575435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).