2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine

C14H18ClNO2 — CID 102648801

IUPAC2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)C1=CCCCO1
InChIInChI=1S/C14H18ClNO2/c1-10(14(16)13-7-2-3-8-17-13)18-12-6-4-5-11(15)9-12/h4-7,9-10,14H,2-3,8,16H2,1H3
InChIKeyNABBWXNQKQZTIQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.13
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine

2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine (PubChem CID 102648801) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
PubChem CID102648801
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)C1=CCCCO1
InChIInChI=1S/C14H18ClNO2/c1-10(14(16)13-7-2-3-8-17-13)18-12-6-4-5-11(15)9-12/h4-7,9-10,14H,2-3,8,16H2,1H3
InChIKeyNABBWXNQKQZTIQ-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
CID 102649827
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine
CID 102649408
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine
CID 105097009
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671
2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
CID 105092349
2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
CID 105093487
2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
CID 105187467
2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
CID 105142039
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
CID 105152855
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
CID 105146009
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine (CID 102648801) is 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine is CC(Oc1cccc(Cl)c1)C(N)C1=CCCCO1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The InChIKey is NABBWXNQKQZTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(14(16)13-7-2-3-8-17-13)18-12-6-4-5-11(15)9-12/h4-7,9-10,14H,2-3,8,16H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine has a molecular weight of 267.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine is sourced from PubChem (CID 102648801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).