N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine

C18H27NO3 — CID 126823813

IUPACN-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine
SMILESCOc1ccccc1C=CCNCCCOC1CCCCO1
InChIInChI=1S/C18H27NO3/c1-20-17-10-3-2-8-16(17)9-6-12-19-13-7-15-22-18-11-4-5-14-21-18/h2-3,6,8-10,18-19H,4-5,7,11-15H2,1H3
InChIKeyQGJTZPHBBDRLOZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.23
Rot. Bonds9

About N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine

N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine (PubChem CID 126823813) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine
PubChem CID126823813
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine
SMILESCOc1ccccc1C=CCNCCCOC1CCCCO1
InChIInChI=1S/C18H27NO3/c1-20-17-10-3-2-8-16(17)9-6-12-19-13-7-15-22-18-11-4-5-14-21-18/h2-3,6,8-10,18-19H,4-5,7,11-15H2,1H3
InChIKeyQGJTZPHBBDRLOZ-UHFFFAOYSA-N
XLogP3.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
methyl 3-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]prop-2-enoate
CID 72616107
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
CID 56823427
(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine
CID 98474954
N-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxaspiro[4.4]nonan-9-amine
CID 126823830
2-[(Z)-6-(oxan-2-yloxy)hex-1-enyl]pyridine
CID 10355306
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine
CID 143437489
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-(12-chlorododecoxy)oxane
CID 14014573

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine (CID 126823813) is N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine is COc1ccccc1C=CCNCCCOC1CCCCO1.
What is the InChIKey of N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine?
The InChIKey is QGJTZPHBBDRLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-20-17-10-3-2-8-16(17)9-6-12-19-13-7-15-22-18-11-4-5-14-21-18/h2-3,6,8-10,18-19H,4-5,7,11-15H2,1H3.
What are the key properties of N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine?
N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine is sourced from PubChem (CID 126823813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).