3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol

C17H28N2O — CID 59316963

IUPAC3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
SMILESCN(CC1CCCCC1)c1cccc(C(O)CCN)c1
InChIInChI=1S/C17H28N2O/c1-19(13-14-6-3-2-4-7-14)16-9-5-8-15(12-16)17(20)10-11-18/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13,18H2,1H3
InChIKeyITMGOKFCIRBXGJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.09
Rot. Bonds6

About 3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol

3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol (PubChem CID 59316963) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
PubChem CID59316963
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
SMILESCN(CC1CCCCC1)c1cccc(C(O)CCN)c1
InChIInChI=1S/C17H28N2O/c1-19(13-14-6-3-2-4-7-14)16-9-5-8-15(12-16)17(20)10-11-18/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13,18H2,1H3
InChIKeyITMGOKFCIRBXGJ-UHFFFAOYSA-N
XLogP3.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol (CID 59316963) is 3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol is CN(CC1CCCCC1)c1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol?
The InChIKey is ITMGOKFCIRBXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(13-14-6-3-2-4-7-14)16-9-5-8-15(12-16)17(20)10-11-18/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13,18H2,1H3.
What are the key properties of 3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol?
3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 59316963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).