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

C14H22BrNO — CID 62570902

IUPACN-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCC(C)Oc1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-11(2)7-8-16-10-12(3)17-14-6-4-5-13(15)9-14/h4-6,9,11-12,16H,7-8,10H2,1-3H3
InChIKeyVTYGYXAYRJAOFY-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.85
Rot. Bonds7

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

N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine (PubChem CID 62570902) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine
PubChem CID62570902
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCC(C)Oc1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-11(2)7-8-16-10-12(3)17-14-6-4-5-13(15)9-14/h4-6,9,11-12,16H,7-8,10H2,1-3H3
InChIKeyVTYGYXAYRJAOFY-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.85
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

N-[2-(3,5-dimethylphenoxy)propyl]-3-methylbutan-1-amine
CID 62571370
N-[2-(4-ethylphenoxy)propyl]-3-methylbutan-1-amine
CID 55088069
3-methyl-N-[2-(4-propoxyphenoxy)propyl]butan-1-amine
CID 63517499
N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine
CID 63506414
3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
CID 119804606
N-[4-(3-bromophenoxy)pentyl]cyclopropanamine
CID 55076658
2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride
CID 119335567
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine
CID 63506249
2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide
CID 71993930
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
2-amino-N-[2-(3-bromophenoxy)propyl]-4-methylsulfonylbutanamide
CID 119957614

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine (CID 62570902) is N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine is CC(C)CCNCC(C)Oc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine?
The InChIKey is VTYGYXAYRJAOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-11(2)7-8-16-10-12(3)17-14-6-4-5-13(15)9-14/h4-6,9,11-12,16H,7-8,10H2,1-3H3.
What are the key properties of N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine?
N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine is sourced from PubChem (CID 62570902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).