4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol

C16H25NO — CID 83159515

IUPAC4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
SMILESCCCNCC(C)(Cc1ccc(O)cc1)C1CC1
InChIInChI=1S/C16H25NO/c1-3-10-17-12-16(2,14-6-7-14)11-13-4-8-15(18)9-5-13/h4-5,8-9,14,17-18H,3,6-7,10-12H2,1-2H3
InChIKeyKHPVBKZPXLQOFL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.35
Rot. Bonds7

About 4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol

4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol (PubChem CID 83159515) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
PubChem CID83159515
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
SMILESCCCNCC(C)(Cc1ccc(O)cc1)C1CC1
InChIInChI=1S/C16H25NO/c1-3-10-17-12-16(2,14-6-7-14)11-13-4-8-15(18)9-5-13/h4-5,8-9,14,17-18H,3,6-7,10-12H2,1-2H3
InChIKeyKHPVBKZPXLQOFL-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine
CID 83183414
3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol
CID 83159271
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 83160456
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 83159508
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149125
3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83148247
N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83160159
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159897
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 83159779

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol?
The IUPAC name of 4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol (CID 83159515) is 4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol.
What is the SMILES notation for 4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol?
The canonical SMILES for 4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol is CCCNCC(C)(Cc1ccc(O)cc1)C1CC1.
What is the InChIKey of 4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol?
The InChIKey is KHPVBKZPXLQOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-10-17-12-16(2,14-6-7-14)11-13-4-8-15(18)9-5-13/h4-5,8-9,14,17-18H,3,6-7,10-12H2,1-2H3.
What are the key properties of 4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol?
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol is sourced from PubChem (CID 83159515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).