(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine

C17H22ClNO — CID 2181440

IUPAC(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine
SMILESCC[C@@H](C)NCCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H22ClNO/c1-3-13(2)19-11-6-12-20-17-10-9-16(18)14-7-4-5-8-15(14)17/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3/t13-/m1/s1
InChIKeyGTYQXQKHVHELLY-CYBMUJFWSA-N
MW291.82 g/mol
LogP4.65
Rot. Bonds7

About (2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine

(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine (PubChem CID 2181440) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is (2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine
PubChem CID2181440
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine
SMILESCC[C@@H](C)NCCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H22ClNO/c1-3-13(2)19-11-6-12-20-17-10-9-16(18)14-7-4-5-8-15(14)17/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3/t13-/m1/s1
InChIKeyGTYQXQKHVHELLY-CYBMUJFWSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.65
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-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
CID 2935926
(2S)-N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2182170
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
CID 2182681
(2R)-N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2181982
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2934466
(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine
CID 2181189
(2R)-N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine
CID 2183230
N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
CID 2184430
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine;oxalic acid
CID 2934611
N-[3-(2-tert-butyl-4-chlorophenoxy)propyl]butan-2-amine
CID 2935333

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine?
The IUPAC name of (2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine (CID 2181440) is (2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine?
The canonical SMILES for (2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine is CC[C@@H](C)NCCCOc1ccc(Cl)c2ccccc12.
What is the InChIKey of (2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine?
The InChIKey is GTYQXQKHVHELLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-3-13(2)19-11-6-12-20-17-10-9-16(18)14-7-4-5-8-15(14)17/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine?
(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine has a molecular weight of 291.82 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine is sourced from PubChem (CID 2181440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).