3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol

C17H28N2O — CID 18320007

IUPAC3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol
SMILESCC1CCC(Nc2ccc(CNCCCO)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-14-3-7-16(8-4-14)19-17-9-5-15(6-10-17)13-18-11-2-12-20/h5-6,9-10,14,16,18-20H,2-4,7-8,11-13H2,1H3
InChIKeyQADMHVBROLOWIX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.15
Rot. Bonds7

About 3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol

3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol (PubChem CID 18320007) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol
PubChem CID18320007
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol
SMILESCC1CCC(Nc2ccc(CNCCCO)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-14-3-7-16(8-4-14)19-17-9-5-15(6-10-17)13-18-11-2-12-20/h5-6,9-10,14,16,18-20H,2-4,7-8,11-13H2,1H3
InChIKeyQADMHVBROLOWIX-UHFFFAOYSA-N
XLogP3.15
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
3-[(4-propylphenyl)methylamino]propan-1-ol
CID 94681283
2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol
CID 61237684
4-[(4-methylcyclohexyl)amino]benzaldehyde
CID 145346630
4-[(4-nonylphenyl)methylamino]butan-1-ol
CID 70951495
3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride
CID 47000639
5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol
CID 83960901
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
CID 106913373
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol (CID 18320007) is 3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol is CC1CCC(Nc2ccc(CNCCCO)cc2)CC1.
What is the InChIKey of 3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol?
The InChIKey is QADMHVBROLOWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-3-7-16(8-4-14)19-17-9-5-15(6-10-17)13-18-11-2-12-20/h5-6,9-10,14,16,18-20H,2-4,7-8,11-13H2,1H3.
What are the key properties of 3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol?
3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-methylcyclohexyl)amino]phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 18320007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).