N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine

C18H30N2O — CID 62017214

IUPACN-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(CN2CCCCC2C)c1
InChIInChI=1S/C18H30N2O/c1-4-10-19-13-16-8-9-18(21-3)17(12-16)14-20-11-6-5-7-15(20)2/h8-9,12,15,19H,4-7,10-11,13-14H2,1-3H3
InChIKeyIQKMQFVJSPLQLS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.57
Rot. Bonds7

About N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine

N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 62017214) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID62017214
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(CN2CCCCC2C)c1
InChIInChI=1S/C18H30N2O/c1-4-10-19-13-16-8-9-18(21-3)17(12-16)14-20-11-6-5-7-15(20)2/h8-9,12,15,19H,4-7,10-11,13-14H2,1-3H3
InChIKeyIQKMQFVJSPLQLS-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62019466
N-[[4-fluoro-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 107453703
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 83053445
N-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43224374
N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine
CID 63219762
2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 43178235
N-[[5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55070016
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]-N-methylmethanamine
CID 65320691

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine (CID 62017214) is N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(OC)c(CN2CCCCC2C)c1.
What is the InChIKey of N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is IQKMQFVJSPLQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-10-19-13-16-8-9-18(21-3)17(12-16)14-20-11-6-5-7-15(20)2/h8-9,12,15,19H,4-7,10-11,13-14H2,1-3H3.
What are the key properties of N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62017214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).