N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline

C16H25FN2 — CID 64555317

IUPACN-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(CC1(N)CCCC(C)C1)c1ccccc1F
InChIInChI=1S/C16H25FN2/c1-3-19(15-9-5-4-8-14(15)17)12-16(18)10-6-7-13(2)11-16/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3
InChIKeyCZMSVKXBRKIVEQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds4

About N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline

N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline (PubChem CID 64555317) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline
PubChem CID64555317
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(CC1(N)CCCC(C)C1)c1ccccc1F
InChIInChI=1S/C16H25FN2/c1-3-19(15-9-5-4-8-14(15)17)12-16(18)10-6-7-13(2)11-16/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3
InChIKeyCZMSVKXBRKIVEQ-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline (CID 64555317) is N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline is CCN(CC1(N)CCCC(C)C1)c1ccccc1F.
What is the InChIKey of N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline?
The InChIKey is CZMSVKXBRKIVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-19(15-9-5-4-8-14(15)17)12-16(18)10-6-7-13(2)11-16/h4-5,8-9,13H,3,6-7,10-12,18H2,1-2H3.
What are the key properties of N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline?
N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline has a molecular weight of 264.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 64555317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).