N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine

C20H28N2O — CID 142934657

IUPACN-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine
SMILESNCc1ccc(CN(Cc2ccco2)CC2CCCCC2)cc1
InChIInChI=1S/C20H28N2O/c21-13-17-8-10-19(11-9-17)15-22(16-20-7-4-12-23-20)14-18-5-2-1-3-6-18/h4,7-12,18H,1-3,5-6,13-16,21H2
InChIKeyDTRQCYHKIJAEEH-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.32
Rot. Bonds7

About N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine

N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine (PubChem CID 142934657) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine
PubChem CID142934657
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine
SMILESNCc1ccc(CN(Cc2ccco2)CC2CCCCC2)cc1
InChIInChI=1S/C20H28N2O/c21-13-17-8-10-19(11-9-17)15-22(16-20-7-4-12-23-20)14-18-5-2-1-3-6-18/h4,7-12,18H,1-3,5-6,13-16,21H2
InChIKeyDTRQCYHKIJAEEH-UHFFFAOYSA-N
XLogP4.32
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine
CID 142934649
[4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23824329
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62461060
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 43275525
2-(cyclobutylmethyl)furan
CID 139469251
N-[[3-(aminomethyl)phenyl]methyl]-N-[(3-chlorophenyl)methyl]-1-cyclohexylmethanamine;2,2-difluoropropanoic acid
CID 142934256

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine (CID 142934657) is N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine is NCc1ccc(CN(Cc2ccco2)CC2CCCCC2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine?
The InChIKey is DTRQCYHKIJAEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c21-13-17-8-10-19(11-9-17)15-22(16-20-7-4-12-23-20)14-18-5-2-1-3-6-18/h4,7-12,18H,1-3,5-6,13-16,21H2.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine?
N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine has a molecular weight of 312.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 142934657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).