N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine

C17H27ClN2 — CID 103499371

IUPACN-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1CCC(C(C)C)CC1
InChIInChI=1S/C17H27ClN2/c1-4-19-12-15-5-6-16(18)11-17(15)20-9-7-14(8-10-20)13(2)3/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3
InChIKeyHLIJOALXZWCHTP-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.32
Rot. Bonds5

About N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine

N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 103499371) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID103499371
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1CCC(C(C)C)CC1
InChIInChI=1S/C17H27ClN2/c1-4-19-12-15-5-6-16(18)11-17(15)20-9-7-14(8-10-20)13(2)3/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3
InChIKeyHLIJOALXZWCHTP-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

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Related Compounds

N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499433
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114847648
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836700
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
N-[[4-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114853448
[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 114847856
N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851009
2-[4-[5-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848526
1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256
N-[[4-chloro-2-(1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 114850847

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 103499371) is N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1N1CCC(C(C)C)CC1.
What is the InChIKey of N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is HLIJOALXZWCHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-19-12-15-5-6-16(18)11-17(15)20-9-7-14(8-10-20)13(2)3/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3.
What are the key properties of N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine 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-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 103499371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).