N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine

C14H21BrN2 — CID 61210641

IUPACN-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
SMILESCC(NC1CCCN(C)C1)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c1-11(12-5-3-6-13(15)9-12)16-14-7-4-8-17(2)10-14/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3
InChIKeyQNXTZIATMXCGSM-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.19
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine

N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine (PubChem CID 61210641) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
PubChem CID61210641
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine
SMILESCC(NC1CCCN(C)C1)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2/c1-11(12-5-3-6-13(15)9-12)16-14-7-4-8-17(2)10-14/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3
InChIKeyQNXTZIATMXCGSM-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448653
N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
N-[(1S)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-3-amine
CID 81382661
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728
N-[(1R)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81381818
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
4-[1-(3-bromophenyl)ethylamino]azepan-2-one
CID 63903898

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine (CID 61210641) is N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine is CC(NC1CCCN(C)C1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine?
The InChIKey is QNXTZIATMXCGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11(12-5-3-6-13(15)9-12)16-14-7-4-8-17(2)10-14/h3,5-6,9,11,14,16H,4,7-8,10H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine?
N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 61210641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).