1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine

C8H18ClNO — CID 65025563

IUPAC1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine
SMILESCC(CCl)NCCOC(C)C
InChIInChI=1S/C8H18ClNO/c1-7(2)11-5-4-10-8(3)6-9/h7-8,10H,4-6H2,1-3H3
InChIKeyXHSAWZIDLZRNTC-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.63
Rot. Bonds6

About 1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine

1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine (PubChem CID 65025563) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine
PubChem CID65025563
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine
SMILESCC(CCl)NCCOC(C)C
InChIInChI=1S/C8H18ClNO/c1-7(2)11-5-4-10-8(3)6-9/h7-8,10H,4-6H2,1-3H3
InChIKeyXHSAWZIDLZRNTC-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
N-(2-propan-2-yloxyethyl)hexan-2-amine
CID 62199838
4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
CID 104584741
1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 64631820
1-cyclopentyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104584684
1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 102870034
1-iodo-3-methyl-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 107859361
1,1-dimethoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104759381
2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol
CID 104759401
5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine
CID 107319832
1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 104584711

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine?
The IUPAC name of 1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine (CID 65025563) is 1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine?
The canonical SMILES for 1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine is CC(CCl)NCCOC(C)C.
What is the InChIKey of 1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine?
The InChIKey is XHSAWZIDLZRNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO/c1-7(2)11-5-4-10-8(3)6-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine?
1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine has a molecular weight of 179.69 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine is sourced from PubChem (CID 65025563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).