N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine

C18H22BrNO — CID 63505429

IUPACN-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
SMILESBrc1ccc2cc(OCCCNC3CCCC3)ccc2c1
InChIInChI=1S/C18H22BrNO/c19-16-8-6-15-13-18(9-7-14(15)12-16)21-11-3-10-20-17-4-1-2-5-17/h6-9,12-13,17,20H,1-5,10-11H2
InChIKeyKJMWNSGDHFJLGW-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.90
Rot. Bonds6

About N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine

N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine (PubChem CID 63505429) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
PubChem CID63505429
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
SMILESBrc1ccc2cc(OCCCNC3CCCC3)ccc2c1
InChIInChI=1S/C18H22BrNO/c19-16-8-6-15-13-18(9-7-14(15)12-16)21-11-3-10-20-17-4-1-2-5-17/h6-9,12-13,17,20H,1-5,10-11H2
InChIKeyKJMWNSGDHFJLGW-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.90
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-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine
CID 63100210
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
CID 62570775
N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine
CID 63515887
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride
CID 54595906
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine?
The IUPAC name of N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine (CID 63505429) is N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine.
What is the SMILES notation for N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine?
The canonical SMILES for N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine is Brc1ccc2cc(OCCCNC3CCCC3)ccc2c1.
What is the InChIKey of N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine?
The InChIKey is KJMWNSGDHFJLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c19-16-8-6-15-13-18(9-7-14(15)12-16)21-11-3-10-20-17-4-1-2-5-17/h6-9,12-13,17,20H,1-5,10-11H2.
What are the key properties of N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine?
N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine has a molecular weight of 348.28 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine is sourced from PubChem (CID 63505429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).