N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine

C18H24BrNO — CID 63517699

IUPACN-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine
SMILESCCC(CC)NCC(C)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C18H24BrNO/c1-4-15(5-2)20-12-13(3)21-17-11-10-14-8-6-7-9-16(14)18(17)19/h6-11,13,15,20H,4-5,12H2,1-3H3
InChIKeyOZUQEOGGDZVLHK-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.15
Rot. Bonds7

About N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine

N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine (PubChem CID 63517699) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine
PubChem CID63517699
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC NameN-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine
SMILESCCC(CC)NCC(C)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C18H24BrNO/c1-4-15(5-2)20-12-13(3)21-17-11-10-14-8-6-7-9-16(14)18(17)19/h6-11,13,15,20H,4-5,12H2,1-3H3
InChIKeyOZUQEOGGDZVLHK-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
CID 55077307
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine
CID 62598270
4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine
CID 63460125
N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine
CID 94497598
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine
CID 63517046
N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine
CID 63505082
N-[2-(4-ethylphenoxy)propyl]pentan-3-amine
CID 55088068
2-(1-bromonaphthalen-2-yl)oxy-3,3-dimethylbutanoic acid
CID 67007983
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63532585
(1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 70693146
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine?
The IUPAC name of N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine (CID 63517699) is N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine.
What is the SMILES notation for N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine?
The canonical SMILES for N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine is CCC(CC)NCC(C)Oc1ccc2ccccc2c1Br.
What is the InChIKey of N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine?
The InChIKey is OZUQEOGGDZVLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-4-15(5-2)20-12-13(3)21-17-11-10-14-8-6-7-9-16(14)18(17)19/h6-11,13,15,20H,4-5,12H2,1-3H3.
What are the key properties of N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine?
N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine has a molecular weight of 350.30 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine is sourced from PubChem (CID 63517699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).