N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine

C15H24N2 — CID 70450840

IUPACN-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine
SMILESCC(N)c1ccccc1CNC1CCCCC1
InChIInChI=1S/C15H24N2/c1-12(16)15-10-6-5-7-13(15)11-17-14-8-3-2-4-9-14/h5-7,10,12,14,17H,2-4,8-9,11,16H2,1H3
InChIKeyLRIFBCXXSUTISN-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.13
Rot. Bonds4

About N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine

N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine (PubChem CID 70450840) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine
PubChem CID70450840
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine
SMILESCC(N)c1ccccc1CNC1CCCCC1
InChIInChI=1S/C15H24N2/c1-12(16)15-10-6-5-7-13(15)11-17-14-8-3-2-4-9-14/h5-7,10,12,14,17H,2-4,8-9,11,16H2,1H3
InChIKeyLRIFBCXXSUTISN-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[[2-[bis[4-(methoxymethoxy)phenyl]methyl]phenyl]methyl]cyclooctanamine
CID 19938097
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]cycloheptanamine
CID 104546893
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine?
The IUPAC name of N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine (CID 70450840) is N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine is CC(N)c1ccccc1CNC1CCCCC1.
What is the InChIKey of N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine?
The InChIKey is LRIFBCXXSUTISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(16)15-10-6-5-7-13(15)11-17-14-8-3-2-4-9-14/h5-7,10,12,14,17H,2-4,8-9,11,16H2,1H3.
What are the key properties of N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine?
N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine has a molecular weight of 232.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 70450840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).