3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine

C15H23NO — CID 43183021

IUPAC3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
SMILESCC(NCCCOCC1CC1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-13(15-6-3-2-4-7-15)16-10-5-11-17-12-14-8-9-14/h2-4,6-7,13-14,16H,5,8-12H2,1H3
InChIKeyIGVFCCJBBBIJLS-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.15
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine

3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine (PubChem CID 43183021) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
PubChem CID43183021
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
SMILESCC(NCCCOCC1CC1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-13(15-6-3-2-4-7-15)16-10-5-11-17-12-14-8-9-14/h2-4,6-7,13-14,16H,5,8-12H2,1H3
InChIKeyIGVFCCJBBBIJLS-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43206746
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 60972295
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
1-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545832
N-[2-(cyclopropylmethoxy)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 103782765
3-(cyclopropylmethoxy)-N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 43206774
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine (CID 43183021) is 3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine is CC(NCCCOCC1CC1)c1ccccc1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine?
The InChIKey is IGVFCCJBBBIJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(15-6-3-2-4-7-15)16-10-5-11-17-12-14-8-9-14/h2-4,6-7,13-14,16H,5,8-12H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine?
3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine is sourced from PubChem (CID 43183021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).