3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine

C17H25NO2 — CID 28719822

IUPAC3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1ccc(CNCCCOCC2CC2)cc1
InChIInChI=1S/C17H25NO2/c1-2-11-20-17-8-6-15(7-9-17)13-18-10-3-12-19-14-16-4-5-16/h2,6-9,16,18H,1,3-5,10-14H2
InChIKeyCIXMUMRWUNFKPT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.16
Rot. Bonds11

About 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine (PubChem CID 28719822) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
PubChem CID28719822
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1ccc(CNCCCOCC2CC2)cc1
InChIInChI=1S/C17H25NO2/c1-2-11-20-17-8-6-15(7-9-17)13-18-10-3-12-19-14-16-4-5-16/h2,6-9,16,18H,1,3-5,10-14H2
InChIKeyCIXMUMRWUNFKPT-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 115600231
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
N',N'-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17293221
N-benzyl-3-(cyclohexylmethoxy)propan-1-amine
CID 114782937
3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653224
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66407185
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
N-[(4-prop-2-enoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295418
4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
CID 61237649

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine (CID 28719822) is 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine is C=CCOc1ccc(CNCCCOCC2CC2)cc1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine?
The InChIKey is CIXMUMRWUNFKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-11-20-17-8-6-15(7-9-17)13-18-10-3-12-19-14-16-4-5-16/h2,6-9,16,18H,1,3-5,10-14H2.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.16, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 28719822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).