N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine

C18H30N2O — CID 62856752

IUPACN-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCN(C)CC2CCC2)cc1
InChIInChI=1S/C18H30N2O/c1-3-11-19-14-16-7-9-18(10-8-16)21-13-12-20(2)15-17-5-4-6-17/h7-10,17,19H,3-6,11-15H2,1-2H3
InChIKeyOVBYMVJHTFYHRG-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds10

About N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine

N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62856752) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
PubChem CID62856752
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCN(C)CC2CCC2)cc1
InChIInChI=1S/C18H30N2O/c1-3-11-19-14-16-7-9-18(10-8-16)21-13-12-20(2)15-17-5-4-6-17/h7-10,17,19H,3-6,11-15H2,1-2H3
InChIKeyOVBYMVJHTFYHRG-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.30
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

2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
CID 62860390
N,2-dimethyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420375
N-methyl-N-[2-[4-(propylaminomethyl)phenoxy]ethyl]thiolan-3-amine
CID 62421305
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193
N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62417571
N-[(4-butoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843608
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62558621
4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
CID 63630897
N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553735
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine (CID 62856752) is N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCCN(C)CC2CCC2)cc1.
What is the InChIKey of N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is OVBYMVJHTFYHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-11-19-14-16-7-9-18(10-8-16)21-13-12-20(2)15-17-5-4-6-17/h7-10,17,19H,3-6,11-15H2,1-2H3.
What are the key properties of N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62856752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).