N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine

C14H22ClNO — CID 62571196

IUPACN-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCC(C)Oc1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-11(2)8-9-16-10-12(3)17-14-7-5-4-6-13(14)15/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyMFASIPOMLAELHP-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.74
Rot. Bonds7

About N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine

N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine (PubChem CID 62571196) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine
PubChem CID62571196
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCC(C)Oc1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-11(2)8-9-16-10-12(3)17-14-7-5-4-6-13(14)15/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyMFASIPOMLAELHP-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine
CID 63506249
N-[2-(4-chloro-2-methylphenoxy)propyl]-3-methylbutan-1-amine
CID 63506904
3-(2-chlorophenoxy)butan-1-ol
CID 82076432
N-[2-(2-chlorophenoxy)propyl]-4-methylaniline
CID 54797024
2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine
CID 62484684
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971467
N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
CID 119725461
N-[2-(4-ethylphenoxy)propyl]-3-methylbutan-1-amine
CID 55088069
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971466
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791
N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine
CID 62570902
4-(2-chlorophenoxy)pentanehydrazide
CID 63574443

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine (CID 62571196) is N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine is CC(C)CCNCC(C)Oc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine?
The InChIKey is MFASIPOMLAELHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-11(2)8-9-16-10-12(3)17-14-7-5-4-6-13(14)15/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine?
N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine is sourced from PubChem (CID 62571196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).