N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine

C16H25ClN2 — CID 43280259

IUPACN-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CCN(c2cccc(Cl)c2CNC(C)C)CC1
InChIInChI=1S/C16H25ClN2/c1-12(2)18-11-14-15(17)5-4-6-16(14)19-9-7-13(3)8-10-19/h4-6,12-13,18H,7-11H2,1-3H3
InChIKeyXNVYKXGLMQFIBD-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.07
Rot. Bonds4

About N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine

N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 43280259) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID43280259
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CCN(c2cccc(Cl)c2CNC(C)C)CC1
InChIInChI=1S/C16H25ClN2/c1-12(2)18-11-14-15(17)5-4-6-16(14)19-9-7-13(3)8-10-19/h4-6,12-13,18H,7-11H2,1-3H3
InChIKeyXNVYKXGLMQFIBD-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281551
N-[[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 79188653
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
2-[4-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperazin-1-yl]ethanol
CID 43592257
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methyl]propan-2-amine
CID 82752937
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
4-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]-1-methylpiperazin-2-one
CID 64695541
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114847203
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283
N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563
1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503885
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine (CID 43280259) is N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine is CC1CCN(c2cccc(Cl)c2CNC(C)C)CC1.
What is the InChIKey of N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is XNVYKXGLMQFIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12(2)18-11-14-15(17)5-4-6-16(14)19-9-7-13(3)8-10-19/h4-6,12-13,18H,7-11H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43280259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).