N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine

C19H32N2 — CID 105346333

IUPACN-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(CN2CCC(CC)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-17-10-12-21(13-11-17)15-18-6-8-19(9-7-18)16(3)14-20-5-2/h6-9,16-17,20H,4-5,10-15H2,1-3H3
InChIKeyQKRNQLBMVMUDOU-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds7

About N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine

N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine (PubChem CID 105346333) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
PubChem CID105346333
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(CN2CCC(CC)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-17-10-12-21(13-11-17)15-18-6-8-19(9-7-18)16(3)14-20-5-2/h6-9,16-17,20H,4-5,10-15H2,1-3H3
InChIKeyQKRNQLBMVMUDOU-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347715
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]-N-ethylpropan-1-amine
CID 105348050
N-[[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63492552
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347840
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346383
2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine
CID 105351097
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 105346444
[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54971109
[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol
CID 112631282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine (CID 105346333) is N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine is CCNCC(C)c1ccc(CN2CCC(CC)CC2)cc1.
What is the InChIKey of N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
The InChIKey is QKRNQLBMVMUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-17-10-12-21(13-11-17)15-18-6-8-19(9-7-18)16(3)14-20-5-2/h6-9,16-17,20H,4-5,10-15H2,1-3H3.
What are the key properties of N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105346333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).