N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine

C15H23NO — CID 79979236

IUPACN-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C15H23NO/c1-3-17-11-12(2)16-10-13-4-6-14(7-5-13)15-8-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyBCBKERHHJTUGER-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.08
Rot. Bonds7

About N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine

N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine (PubChem CID 79979236) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
PubChem CID79979236
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C15H23NO/c1-3-17-11-12(2)16-10-13-4-6-14(7-5-13)15-8-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyBCBKERHHJTUGER-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652
N-[(2-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79889217
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
4-[(1-ethoxypropan-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032610
1-ethoxy-N-(furan-3-ylmethyl)propan-2-amine
CID 63204415
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403532
1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
CID 115708937
1-(4-cyclopropylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720184
N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271048

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine (CID 79979236) is N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine is CCOCC(C)NCc1ccc(C2CC2)cc1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine?
The InChIKey is BCBKERHHJTUGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-17-11-12(2)16-10-13-4-6-14(7-5-13)15-8-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine?
N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 79979236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).