N-[(4-fluorocyclohexyl)methyl]ethanamine

C9H18FN — CID 143499030

IUPACN-[(4-fluorocyclohexyl)methyl]ethanamine
SMILESCCNCC1CCC(F)CC1
InChIInChI=1S/C9H18FN/c1-2-11-7-8-3-5-9(10)6-4-8/h8-9,11H,2-7H2,1H3
InChIKeyAULMLTGQKVPZDV-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds3

About N-[(4-fluorocyclohexyl)methyl]ethanamine

N-[(4-fluorocyclohexyl)methyl]ethanamine (PubChem CID 143499030) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-[(4-fluorocyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorocyclohexyl)methyl]ethanamine
PubChem CID143499030
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-[(4-fluorocyclohexyl)methyl]ethanamine
SMILESCCNCC1CCC(F)CC1
InChIInChI=1S/C9H18FN/c1-2-11-7-8-3-5-9(10)6-4-8/h8-9,11H,2-7H2,1H3
InChIKeyAULMLTGQKVPZDV-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710
2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
CID 87141647
N-[4-(ethylaminomethyl)cyclohexyl]acetamide
CID 118947012
N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine
CID 71635401
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine
CID 177357546
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
N-[(3,3-dimethylcyclopentyl)methyl]ethanamine
CID 80705004
N-[(3,3-dimethoxycyclobutyl)methyl]ethanamine
CID 121208176
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorocyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluorocyclohexyl)methyl]ethanamine (CID 143499030) is N-[(4-fluorocyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluorocyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluorocyclohexyl)methyl]ethanamine is CCNCC1CCC(F)CC1.
What is the InChIKey of N-[(4-fluorocyclohexyl)methyl]ethanamine?
The InChIKey is AULMLTGQKVPZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-2-11-7-8-3-5-9(10)6-4-8/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[(4-fluorocyclohexyl)methyl]ethanamine?
N-[(4-fluorocyclohexyl)methyl]ethanamine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorocyclohexyl)methyl]ethanamine is sourced from PubChem (CID 143499030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).