3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol

C15H23NO — CID 106798054

IUPAC3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol
SMILESCCCNC(C)C1(Cc2cccc(O)c2)CC1
InChIInChI=1S/C15H23NO/c1-3-9-16-12(2)15(7-8-15)11-13-5-4-6-14(17)10-13/h4-6,10,12,16-17H,3,7-9,11H2,1-2H3
InChIKeyVLAXPYXTSCWJAK-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.10
Rot. Bonds6

About 3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol

3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol (PubChem CID 106798054) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol.

Molecular Properties

Compound Name3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol
PubChem CID106798054
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol
SMILESCCCNC(C)C1(Cc2cccc(O)c2)CC1
InChIInChI=1S/C15H23NO/c1-3-9-16-12(2)15(7-8-15)11-13-5-4-6-14(17)10-13/h4-6,10,12,16-17H,3,7-9,11H2,1-2H3
InChIKeyVLAXPYXTSCWJAK-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797931
N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797934
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797913
3-(propylaminomethyl)phenol
CID 10725714
N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798000
N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798013
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol
CID 114534749
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
3-[(1-fluorocyclobutyl)methyl]phenol
CID 84718365

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol?
The IUPAC name of 3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol (CID 106798054) is 3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol.
What is the SMILES notation for 3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol?
The canonical SMILES for 3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol is CCCNC(C)C1(Cc2cccc(O)c2)CC1.
What is the InChIKey of 3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol?
The InChIKey is VLAXPYXTSCWJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-9-16-12(2)15(7-8-15)11-13-5-4-6-14(17)10-13/h4-6,10,12,16-17H,3,7-9,11H2,1-2H3.
What are the key properties of 3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol?
3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol has a molecular weight of 233.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-(propylamino)ethyl]cyclopropyl]methyl]phenol is sourced from PubChem (CID 106798054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).