N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine

C15H17ClN2O — CID 43283704

IUPACN-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1Oc1cccnc1
InChIInChI=1S/C15H17ClN2O/c1-2-8-17-11-13-14(16)6-3-7-15(13)19-12-5-4-9-18-10-12/h3-7,9-10,17H,2,8,11H2,1H3
InChIKeyKYYUWYNTWVZQHF-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.03
Rot. Bonds6

About N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine

N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine (PubChem CID 43283704) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine
PubChem CID43283704
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1Oc1cccnc1
InChIInChI=1S/C15H17ClN2O/c1-2-8-17-11-13-14(16)6-3-7-15(13)19-12-5-4-9-18-10-12/h3-7,9-10,17H,2,8,11H2,1H3
InChIKeyKYYUWYNTWVZQHF-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 114319478
N-[[2-chloro-6-(4-ethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282834
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[2-chloro-6-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169925
1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine
CID 63815743
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563633
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
CID 106437071
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[2-chloro-6-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114319406

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine (CID 43283704) is N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine is CCCNCc1c(Cl)cccc1Oc1cccnc1.
What is the InChIKey of N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine?
The InChIKey is KYYUWYNTWVZQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-8-17-11-13-14(16)6-3-7-15(13)19-12-5-4-9-18-10-12/h3-7,9-10,17H,2,8,11H2,1H3.
What are the key properties of N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine?
N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine has a molecular weight of 276.77 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43283704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).