N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine

C18H24N2O — CID 43497092

IUPACN-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-4-11-20-18(16-9-12-19-13-10-16)15-5-7-17(8-6-15)21-14(2)3/h5-10,12-14,18,20H,4,11H2,1-3H3
InChIKeyYDNDMRPRGLQFCB-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.96
Rot. Bonds7

About N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine

N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine (PubChem CID 43497092) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
PubChem CID43497092
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-4-11-20-18(16-9-12-19-13-10-16)15-5-7-17(8-6-15)21-14(2)3/h5-10,12-14,18,20H,4,11H2,1-3H3
InChIKeyYDNDMRPRGLQFCB-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202
2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine
CID 79308290
N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492161
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492153
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
4-propan-2-yloxypyridine
CID 4527576
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine (CID 43497092) is N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine is CCCNC(c1ccncc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The InChIKey is YDNDMRPRGLQFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-11-20-18(16-9-12-19-13-10-16)15-5-7-17(8-6-15)21-14(2)3/h5-10,12-14,18,20H,4,11H2,1-3H3.
What are the key properties of N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine?
N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 43497092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).