N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine

C17H27ClN2 — CID 43281049

IUPACN-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1N1CC(C)CC(C)C1
InChIInChI=1S/C17H27ClN2/c1-4-8-19-10-15-16(18)6-5-7-17(15)20-11-13(2)9-14(3)12-20/h5-7,13-14,19H,4,8-12H2,1-3H3
InChIKeyNEEPYTZYEUAONI-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.32
Rot. Bonds5

About N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine

N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 43281049) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
PubChem CID43281049
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1N1CC(C)CC(C)C1
InChIInChI=1S/C17H27ClN2/c1-4-8-19-10-15-16(18)6-5-7-17(15)20-11-13(2)9-14(3)12-20/h5-7,13-14,19H,4,8-12H2,1-3H3
InChIKeyNEEPYTZYEUAONI-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 43280316
N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63550854
N-[[3-chloro-4-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81149134
[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590515
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[2-chloro-6-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690803
N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62121174
N-[[2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]propan-1-amine
CID 63026253
N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine
CID 104959435
N-[[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 79188653
N-[[2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 62888458
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63635864

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine (CID 43281049) is N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1c(Cl)cccc1N1CC(C)CC(C)C1.
What is the InChIKey of N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is NEEPYTZYEUAONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-8-19-10-15-16(18)6-5-7-17(15)20-11-13(2)9-14(3)12-20/h5-7,13-14,19H,4,8-12H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 43281049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).