N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine

C16H20N2O — CID 43190598

IUPACN-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine
SMILESCC(C)Oc1ccc(C(C)Nc2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-12(2)19-16-8-6-14(7-9-16)13(3)18-15-5-4-10-17-11-15/h4-13,18H,1-3H3
InChIKeyLBMDHDYGUVFRRM-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine

N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine (PubChem CID 43190598) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine
PubChem CID43190598
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine
SMILESCC(C)Oc1ccc(C(C)Nc2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-12(2)19-16-8-6-14(7-9-16)13(3)18-15-5-4-10-17-11-15/h4-13,18H,1-3H3
InChIKeyLBMDHDYGUVFRRM-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-iodophenyl)ethyl]pyridin-3-amine
CID 43756657
3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol
CID 43207017
5-propan-2-yloxy-3-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 80723403
3-(4-propan-2-yloxyphenyl)pyridine
CID 91807940
N-(1-thiophen-3-ylethyl)pyridin-3-amine
CID 62090458
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridin-3-amine
CID 43200742
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
1-(4-propan-2-yloxyphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62761091
N-[(1S)-1-(4-cyclopentylsulfonylphenyl)ethyl]pyridin-3-amine
CID 97323503
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648558
4-chloro-3-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43721459

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine?
The IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine (CID 43190598) is N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine?
The canonical SMILES for N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine is CC(C)Oc1ccc(C(C)Nc2cccnc2)cc1.
What is the InChIKey of N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine?
The InChIKey is LBMDHDYGUVFRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(2)19-16-8-6-14(7-9-16)13(3)18-15-5-4-10-17-11-15/h4-13,18H,1-3H3.
What are the key properties of N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine?
N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 43190598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).