4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine

C16H25NO — CID 114523014

IUPAC4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H25NO/c1-12(17-4)11-16(2,3)13-6-5-7-15(10-13)18-14-8-9-14/h5-7,10,12,14,17H,8-9,11H2,1-4H3
InChIKeyIVQRPASCXLADJW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds6

About 4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine

4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine (PubChem CID 114523014) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine
PubChem CID114523014
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H25NO/c1-12(17-4)11-16(2,3)13-6-5-7-15(10-13)18-14-8-9-14/h5-7,10,12,14,17H,8-9,11H2,1-4H3
InChIKeyIVQRPASCXLADJW-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 64715949
3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol
CID 114520776
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
CID 79618131
1-(tert-butylamino)-2-(3-cyclopropyloxyphenyl)propan-2-ol
CID 114523447
4-amino-2-(3-cyclopropyloxyphenyl)butan-2-ol
CID 114523428
1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537
1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene
CID 114520237
1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105051822
4-[1-(3-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114521016

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine (CID 114523014) is 4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine is CNC(C)CC(C)(C)c1cccc(OC2CC2)c1.
What is the InChIKey of 4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine?
The InChIKey is IVQRPASCXLADJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(17-4)11-16(2,3)13-6-5-7-15(10-13)18-14-8-9-14/h5-7,10,12,14,17H,8-9,11H2,1-4H3.
What are the key properties of 4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine?
4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyloxyphenyl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 114523014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).