N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine

C22H29NO2 — CID 134232771

IUPACN-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine
SMILESC=CCC(C)CCNCc1ccc(OCc2ccccc2OC)cc1
InChIInChI=1S/C22H29NO2/c1-4-7-18(2)14-15-23-16-19-10-12-21(13-11-19)25-17-20-8-5-6-9-22(20)24-3/h4-6,8-13,18,23H,1,7,14-17H2,2-3H3
InChIKeyXZMNANOJSZIFRL-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.97
Rot. Bonds11

About N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine

N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine (PubChem CID 134232771) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine.

Molecular Properties

Compound NameN-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine
PubChem CID134232771
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine
SMILESC=CCC(C)CCNCc1ccc(OCc2ccccc2OC)cc1
InChIInChI=1S/C22H29NO2/c1-4-7-18(2)14-15-23-16-19-10-12-21(13-11-19)25-17-20-8-5-6-9-22(20)24-3/h4-6,8-13,18,23H,1,7,14-17H2,2-3H3
InChIKeyXZMNANOJSZIFRL-UHFFFAOYSA-N
XLogP4.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.97
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'}

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Related Compounds

2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157
4-[(3-methylhex-5-enylamino)methyl]benzonitrile
CID 134232628
[4-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 54940415
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
CID 43220519
4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
(1S)-1-[4-[(2-methoxyphenyl)methoxy]phenyl]ethanol
CID 78930283
N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine
CID 62016883
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604
3-ethyl-N-[(4-phenoxyphenyl)methyl]hex-5-en-1-amine
CID 134232561
2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
CID 28651449

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine?
The IUPAC name of N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine (CID 134232771) is N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine.
What is the SMILES notation for N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine?
The canonical SMILES for N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine is C=CCC(C)CCNCc1ccc(OCc2ccccc2OC)cc1.
What is the InChIKey of N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine?
The InChIKey is XZMNANOJSZIFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-7-18(2)14-15-23-16-19-10-12-21(13-11-19)25-17-20-8-5-6-9-22(20)24-3/h4-6,8-13,18,23H,1,7,14-17H2,2-3H3.
What are the key properties of N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine?
N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine has a molecular weight of 339.48 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]-3-methylhex-5-en-1-amine is sourced from PubChem (CID 134232771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).