3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol

C16H25NO2 — CID 103910921

IUPAC3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H25NO2/c1-12-3-5-13(6-4-12)16(14-7-8-14)17-15(9-10-18)11-19-2/h3-6,14-18H,7-11H2,1-2H3
InChIKeyTWFVNKZIHRMXAG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds8

About 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol

3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol (PubChem CID 103910921) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol
PubChem CID103910921
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H25NO2/c1-12-3-5-13(6-4-12)16(14-7-8-14)17-15(9-10-18)11-19-2/h3-6,14-18H,7-11H2,1-2H3
InChIKeyTWFVNKZIHRMXAG-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 64604426
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 115898508
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
CID 61246859
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
CID 66091100
methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106162253
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426672
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 43773888
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
CID 103911492

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol (CID 103910921) is 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol is COCC(CCO)NC(c1ccc(C)cc1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol?
The InChIKey is TWFVNKZIHRMXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-3-5-13(6-4-12)16(14-7-8-14)17-15(9-10-18)11-19-2/h3-6,14-18H,7-11H2,1-2H3.
What are the key properties of 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol?
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 103910921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).