N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine

C15H26N2O — CID 65340742

IUPACN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
SMILESCCCCCN(C)Cc1ccc(OC)c(CN)c1
InChIInChI=1S/C15H26N2O/c1-4-5-6-9-17(2)12-13-7-8-15(18-3)14(10-13)11-16/h7-8,10H,4-6,9,11-12,16H2,1-3H3
InChIKeyCTEDSBJQGOKIOI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.78
Rot. Bonds8

About N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine

N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine (PubChem CID 65340742) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
PubChem CID65340742
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
SMILESCCCCCN(C)Cc1ccc(OC)c(CN)c1
InChIInChI=1S/C15H26N2O/c1-4-5-6-9-17(2)12-13-7-8-15(18-3)14(10-13)11-16/h7-8,10H,4-6,9,11-12,16H2,1-3H3
InChIKeyCTEDSBJQGOKIOI-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65338517
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 62017038
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 115197907
N-[[4-methoxy-3-[[methyl(pentyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62017224
2-methoxy-4-[[methyl(pentyl)amino]methyl]benzoic acid
CID 106793474
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
CID 62019095
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine (CID 65340742) is N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine is CCCCCN(C)Cc1ccc(OC)c(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine?
The InChIKey is CTEDSBJQGOKIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-6-9-17(2)12-13-7-8-15(18-3)14(10-13)11-16/h7-8,10H,4-6,9,11-12,16H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine?
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 65340742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).