3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol

C18H29NO — CID 107448741

IUPAC3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol
SMILESCC(C)C1CCCC(Nc2cccc(CCCO)c2)C1
InChIInChI=1S/C18H29NO/c1-14(2)16-8-4-10-18(13-16)19-17-9-3-6-15(12-17)7-5-11-20/h3,6,9,12,14,16,18-20H,4-5,7-8,10-11,13H2,1-2H3
InChIKeyGFERGCASCAEARA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds6

About 3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol

3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol (PubChem CID 107448741) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol
PubChem CID107448741
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol
SMILESCC(C)C1CCCC(Nc2cccc(CCCO)c2)C1
InChIInChI=1S/C18H29NO/c1-14(2)16-8-4-10-18(13-16)19-17-9-3-6-15(12-17)7-5-11-20/h3,6,9,12,14,16,18-20H,4-5,7-8,10-11,13H2,1-2H3
InChIKeyGFERGCASCAEARA-UHFFFAOYSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol?
The IUPAC name of 3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol (CID 107448741) is 3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol is CC(C)C1CCCC(Nc2cccc(CCCO)c2)C1.
What is the InChIKey of 3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol?
The InChIKey is GFERGCASCAEARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)16-8-4-10-18(13-16)19-17-9-3-6-15(12-17)7-5-11-20/h3,6,9,12,14,16,18-20H,4-5,7-8,10-11,13H2,1-2H3.
What are the key properties of 3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol?
3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 107448741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).