N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine

C8H18ClNO — CID 65023756

IUPACN-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine
SMILESCOCC(Cl)CNCC(C)C
InChIInChI=1S/C8H18ClNO/c1-7(2)4-10-5-8(9)6-11-3/h7-8,10H,4-6H2,1-3H3
InChIKeyPEOAVOPCZNWGIB-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.49
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine

N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine (PubChem CID 65023756) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine
PubChem CID65023756
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine
SMILESCOCC(Cl)CNCC(C)C
InChIInChI=1S/C8H18ClNO/c1-7(2)4-10-5-8(9)6-11-3/h7-8,10H,4-6H2,1-3H3
InChIKeyPEOAVOPCZNWGIB-UHFFFAOYSA-N
XLogP1.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine
CID 65023754
(E)-N-(2-chloro-3-methoxypropyl)but-2-en-1-amine
CID 107897694
CID 175939227
CID 175939227
N-(2-chloro-3-methoxypropyl)butan-2-amine
CID 79443922
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
2-methyl-1-(2-methylpropoxy)propane;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 167710729
N-(2-chloro-3-methoxypropyl)pentan-2-amine
CID 107887414
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
2-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024159
2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 65024338
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine
CID 107155875

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine (CID 65023756) is N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine is COCC(Cl)CNCC(C)C.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine?
The InChIKey is PEOAVOPCZNWGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO/c1-7(2)4-10-5-8(9)6-11-3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine?
N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine has a molecular weight of 179.69 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 65023756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).