N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine

C12H16FN — CID 62594197

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
SMILESCCNCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FN/c1-2-14-9-12(7-8-12)10-3-5-11(13)6-4-10/h3-6,14H,2,7-9H2,1H3
InChIKeyDPKYAPXQRDHCJP-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.47
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine (PubChem CID 62594197) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
PubChem CID62594197
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
SMILESCCNCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FN/c1-2-14-9-12(7-8-12)10-3-5-11(13)6-4-10/h3-6,14H,2,7-9H2,1H3
InChIKeyDPKYAPXQRDHCJP-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
CID 62595738
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
N-ethyl-5-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-N-methylpyridin-2-amine
CID 119047898
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
CID 80525156
ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-propylguanidine
CID 111228209
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-pentylurea
CID 78885818
N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 62595893

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine (CID 62594197) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine is CCNCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine?
The InChIKey is DPKYAPXQRDHCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-2-14-9-12(7-8-12)10-3-5-11(13)6-4-10/h3-6,14H,2,7-9H2,1H3.
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine has a molecular weight of 193.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 62594197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).