3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol

C17H28N2O — CID 59316933

IUPAC3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-13(11-18)17(20)15-8-5-9-16(10-15)19-12-14-6-3-2-4-7-14/h5,8-10,13-14,17,19-20H,2-4,6-7,11-12,18H2,1H3
InChIKeyBLCWXKMRKFGVSM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.31
Rot. Bonds6

About 3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol

3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol (PubChem CID 59316933) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol
PubChem CID59316933
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-13(11-18)17(20)15-8-5-9-16(10-15)19-12-14-6-3-2-4-7-14/h5,8-10,13-14,17,19-20H,2-4,6-7,11-12,18H2,1H3
InChIKeyBLCWXKMRKFGVSM-UHFFFAOYSA-N
XLogP3.31
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol (CID 59316933) is 3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol is CC(CN)C(O)c1cccc(NCC2CCCCC2)c1.
What is the InChIKey of 3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol?
The InChIKey is BLCWXKMRKFGVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(11-18)17(20)15-8-5-9-16(10-15)19-12-14-6-3-2-4-7-14/h5,8-10,13-14,17,19-20H,2-4,6-7,11-12,18H2,1H3.
What are the key properties of 3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol?
3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(cyclohexylmethylamino)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 59316933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).