1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine

C15H22ClNO2 — CID 103546384

IUPAC1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1)CC1OCCO1
InChIInChI=1S/C15H22ClNO2/c1-2-6-17-14(11-15-18-7-8-19-15)10-12-4-3-5-13(16)9-12/h3-5,9,14-15,17H,2,6-8,10-11H2,1H3
InChIKeyGRCUCNSPMOBNTI-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.01
Rot. Bonds7

About 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine

1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine (PubChem CID 103546384) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
PubChem CID103546384
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1)CC1OCCO1
InChIInChI=1S/C15H22ClNO2/c1-2-6-17-14(11-15-18-7-8-19-15)10-12-4-3-5-13(16)9-12/h3-5,9,14-15,17H,2,6-8,10-11H2,1H3
InChIKeyGRCUCNSPMOBNTI-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103547300
1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66046965
1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
CID 105085865
1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79759444
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
CID 55247955
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
1-butan-2-ylsulfanyl-3-(3-chlorophenyl)-N-propylpropan-2-amine
CID 65136450
N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 55083879

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine (CID 103546384) is 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1cccc(Cl)c1)CC1OCCO1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
The InChIKey is GRCUCNSPMOBNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-2-6-17-14(11-15-18-7-8-19-15)10-12-4-3-5-13(16)9-12/h3-5,9,14-15,17H,2,6-8,10-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103546384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).