N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine

C17H22N2O — CID 39369723

IUPACN-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCCCOc1ccccc1CNCc1cccnc1
InChIInChI=1S/C17H22N2O/c1-2-3-11-20-17-9-5-4-8-16(17)14-19-13-15-7-6-10-18-12-15/h4-10,12,19H,2-3,11,13-14H2,1H3
InChIKeyBINJJSGGKXDJCJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.55
Rot. Bonds8

About N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine

N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 39369723) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID39369723
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCCCOc1ccccc1CNCc1cccnc1
InChIInChI=1S/C17H22N2O/c1-2-3-11-20-17-9-5-4-8-16(17)14-19-13-15-7-6-10-18-12-15/h4-10,12,19H,2-3,11,13-14H2,1H3
InChIKeyBINJJSGGKXDJCJ-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.55
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-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
1-(3-butoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39423559
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935
2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
CID 57411895
N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine
CID 54849210
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997335
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine
CID 42198890
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine (CID 39369723) is N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine is CCCCOc1ccccc1CNCc1cccnc1.
What is the InChIKey of N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is BINJJSGGKXDJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-3-11-20-17-9-5-4-8-16(17)14-19-13-15-7-6-10-18-12-15/h4-10,12,19H,2-3,11,13-14H2,1H3.
What are the key properties of N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 39369723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).